Serial ComboID mQC Cell Line A B Median Excess Excess HSA Beta Gamma nDBSumNeg nDBSumPos DBSumPos DBSumNeg Self Cross Response Matrix Δ Bliss
1 1 good [0.97] TMD8 Bendamustine
Antimetabolite
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
63.08 18.82 1.01 1.01 -0.02 0.03 0.63 -0.45 No
2 2 good [0.92] TMD8 Lonidamine
hexokinase inactivator
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
48.85 76.97 1.01 1.01 -0.01 0.04 0.92 -0.15 No
3 3 good [0.94] TMD8 Lenalidomide (CC-5013)
TNF-alpha Production Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
83.47 -259.14 0.93 0.93 -0.11 0 0.12 -2.71 No
4 4 good [0.96] TMD8 Cladribine
Adenosine Deaminase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.38 -47.49 0.99 0.99 -0.04 0.02 0.5 -0.97 No
5 5 good [0.83] TMD8 Pentostatin
Adenosine Deaminase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
42.01 101.28 1.03 1.02 -0.01 0.05 1.31 -0.27 No
6 6 good [0.97] TMD8 6-mercaptopurine
Purine Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.01 -38.71 0.99 0.98 -0.03 0.03 0.66 -0.79 No
7 7 good [0.99] TMD8 Everolimus
mTOR inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.91 -420.59 0.93 0.82 -0.06 0 0.07 -1.56 No
8 8 good [0.94] TMD8 Aminoglutethimide
Aromatase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.02 -61.08 0.98 0.98 -0.04 0.02 0.5 -1.03 No
9 9 good [0.97] TMD8 4-Hydroxyandrostenedione
Aromatase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.75 3.48 0.99 0.99 -0.02 0.03 0.65 -0.62 No
10 10 good [0.97] TMD8 Letrozole
Aromatase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.92 -6.71 1 1 -0.02 0.02 0.38 -0.45 No
11 11 good [1.00] TMD8 Pemetrexed disodium
thymidylate synthase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
64.23 -120.4 1 0.97 -0.03 0.02 0.45 -0.69 No
12 12 good [1.00] TMD8 Gemcitabine
ribonucleotide reductase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
53.6 -289.3 0.96 0.89 -0.05 0.02 0.43 -1.16 No
13 13 good [0.97] TMD8 Tamoxifen
Selective Estrogen Receptor Modulators (SERM)
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.15 -156.23 0.94 0.94 -0.08 0.01 0.35 -1.91 No
14 14 medium [0.75] TMD8 Vincristine sulfate
Tubulin polymerization inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
52.61 -158.5 0.97 0.9 -0.02 0 0.03 -0.53 No
15 15 medium [0.54] TMD8 Combretastatin A-4
Tubulin polymerization inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
41.71 -10.96 1 1 -0 0 0.01 -0.05 No
16 16 good [0.95] TMD8 Plinabulin
Tubulin polymerization inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.1 -257.79 0.86 0.83 -0.08 0 0.07 -1.91 No
17 17 good [1.00] TMD8 Docetaxel
Tubulin depolymerization inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.94 -410.24 0.92 0.82 -0.07 0 0.01 -1.75 No
18 18 good [0.97] TMD8 Blebbistatin
myosin II ATPase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
59.5 -114.71 0.96 0.96 -0.05 0 0.05 -1.19 No
19 19 good [1.00] TMD8 Ispinesib
Kinesin-Like Spindle Protein Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.56 -504.88 0.9 0.76 -0.09 0 0 -2.27 No
20 20 good [0.96] TMD8 Doxorubicin (Adriamycin)
DNA Topoisomerase II Inhibitors
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.78 -217.49 0.95 0.9 -0.06 0 0.05 -1.38 No
21 21 good [0.75] TMD8 Topotecan HCl
DNA Topoisomerase I Inhibitors
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
79.12 -282.9 0.9 0.85 -0.08 0 0.05 -1.94 No
22 22 good [0.97] TMD8 Cyclophosphamide
BCL2/LGALS1 Expression Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.99 -51.55 0.99 0.99 -0.03 0 0.12 -0.63 No
23 23 good [0.97] TMD8 Azacitidine
DNA Methyltransferase (DNMT) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
73.89 -204.44 0.95 0.94 -0.08 0.01 0.15 -2.1 No
24 24 bad [0.89] TMD8 Actinomycin D
DNA-Directed RNA Polymerase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
37.11 -3.16 1 1 -0 0 0 -0.02 No
25 25 good [0.97] TMD8 Mithramycin
Alcohol Dehydrogenase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.55 -169.15 0.93 0.92 -0.05 0 0.07 -1.36 No
26 26 good [0.97] TMD8 Itraconazole
cytochrome inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
59.73 -143.52 0.95 0.95 -0.06 0 0.08 -1.52 No
27 27 good [0.65] TMD8 Hydroxychloroquine sulfate
Autophagy Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.7 -32.49 0.99 0.99 -0.03 0.02 0.44 -0.76 No
28 28 good [0.97] TMD8 Mifepristone
Progesterone Receptor Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.87 -115.98 0.98 0.98 -0.06 0.02 0.43 -1.59 No
29 29 good [0.97] TMD8 Metformin HCl
AMP-Activated Protein Kinase (AMPK) Activator
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
77.19 -11.8 1 1 -0.03 0.02 0.53 -0.65 No
30 30 good [0.98] TMD8 Acadesine
AMP-Activated Protein Kinase (AMPK) Activator
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.07 15.58 1.03 1.03 -0.03 0.04 0.97 -0.81 No
31 31 good [0.97] TMD8 A-769662
AMP-Activated Protein Kinase (AMPK) Activator
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
61.73 -106.64 0.96 0.96 -0.05 0.01 0.15 -1.22 No
32 32 good [0.97] TMD8 Imatinib
Bcr-Abl Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.06 -45.07 0.99 0.99 -0.03 0.01 0.33 -0.78 No
33 33 good [0.97] TMD8 Nilotinib (AMN-107)
Bcr-Abl Kinase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
63.5 -197.67 0.93 0.93 -0.09 0.01 0.24 -2.13 No
34 34 good [0.98] TMD8 Ponatinib (AP24534)
FGFR Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
85.7 -361.78 0.89 0.88 -0.12 0.01 0.17 -3.02 No
35 35 good [0.99] TMD8 DCC-2036
Bcr-Abl Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.39 -200.45 0.96 0.93 -0.05 0.01 0.22 -1.18 No
36 36 good [0.98] TMD8 Dasatinib
Bcr-Abl inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
54.15 -113.15 0.99 0.93 -0.02 0.01 0.19 -0.43 No
37 37 good [1.00] TMD8 Bosutinib methanoate
Bcr-Abl inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
43.85 -53.9 0.97 0.96 -0.04 0.03 0.81 -0.95 No
38 38 good [0.96] TMD8 Saracatinib
cSRC inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.9 -244.58 0.94 0.93 -0.09 0 0 -2.22 No
39 39 good [0.97] TMD8 PD-166285
cSRC inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.95 -256.65 0.89 0.89 -0.09 0 0.04 -2.31 No
40 40 good [0.96] TMD8 Vandetanib
EGFR (HER1; erbB1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
83.27 62.6 1.03 1.03 -0.01 0.04 0.91 -0.28 No
41 41 good [0.98] TMD8 Erlotinib hydrochloride
EGFR (HER1; erbB1) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.27 -151.5 0.95 0.95 -0.06 0 0.08 -1.6 No
42 42 good [0.98] TMD8 Gefitinib
EGFR (HER1; erbB1) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
73.94 -98.07 0.98 0.98 -0.04 0 0.05 -1.03 No
43 43 good [0.97] TMD8 Lapatinib
EGFR (HER1; erbB1) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
73.45 -156.98 0.95 0.95 -0.07 0 0.12 -1.69 No
44 44 good [1.00] TMD8 Neratinib
EGFR (HER1; erbB1) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
53.75 -82.89 0.98 0.97 -0.03 0.02 0.54 -0.66 No
45 45 good [0.90] TMD8 Canertinib
EGFR (HER1; erbB1) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
51.79 513.44 1.14 1.13 -0 0.23 5.81 -0.1 No
46 46 good [0.99] TMD8 AV-412
EGFR (HER1; erbB1) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
81.91 144.39 1.05 1.05 -0.01 0.08 1.88 -0.32 No
47 47 good [0.97] TMD8 Dacomitinib
EGFR (HER1; erbB1) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
73.66 -15.3 1 1 -0.03 0.02 0.56 -0.72 No
48 48 good [0.97] TMD8 CP-724714
HER2 (erbB2) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.05 -145.63 0.96 0.96 -0.06 0 0 -1.46 No
49 49 good [0.99] TMD8 Afatinib
EGFR (HER1; erbB1) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.57 -20.6 1 1 -0.02 0.01 0.34 -0.44 No
50 50 good [0.98] TMD8 AEE-788
EGFR (HER1; erbB1) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.53 39.02 1 1 -0.02 0.04 0.95 -0.56 No
51 51 good [0.95] TMD8 CUDC-101
EGFR (HER1; erbB1) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
85.26 -253.94 0.91 0.89 -0.08 0 0.07 -2 No
52 52 good [0.99] TMD8 Pelitinib
EGFR (HER1; erbB1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.41 -62.94 1.01 0.99 -0.04 0.03 0.82 -0.92 No
53 53 good [0.98] TMD8 WZ-4002
EGFR (HER1; erbB1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
81.82 102.05 1.04 1.03 -0.02 0.08 1.97 -0.58 No
54 54 good [0.96] TMD8 Linifanib
VEGFR-2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.73 36.78 1.01 1.01 -0.01 0.02 0.61 -0.25 No
55 55 good [0.93] TMD8 Axitinib
VEGFR-1/2/3 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.72 129.13 1.03 1.03 -0.01 0.06 1.46 -0.17 No
56 56 good [0.97] TMD8 Sorafenib
VEGFR-1/2/3 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.83 -62.79 0.98 0.98 -0.03 0.01 0.15 -0.77 No
57 57 good [0.97] TMD8 Vatalanib dihydrochloride
VEGFR-1,2,3 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.66 71.35 1.02 1.02 -0 0.03 0.78 -0.07 No
58 58 good [0.95] TMD8 Motesanib
VEGFR-1,2,3 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
49.53 -7.89 0.99 0.99 -0.01 0.01 0.29 -0.37 No
59 59 good [0.97] TMD8 Tivozanib
VEGFR-1/2/3 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
52.52 9.01 0.98 0.98 -0.03 0.04 0.97 -0.82 No
60 60 good [0.99] TMD8 Nintedanib (BIBF 1120)
VEGFR-1/2/3 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
83.37 -350.95 0.89 0.87 -0.12 0 0.01 -2.89 No
61 61 good [0.97] TMD8 Brivanib
VEGFR-2,3/FGFR1,2,3 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
64.96 -65.45 0.97 0.97 -0.04 0.02 0.38 -1.03 No
62 62 good [0.97] TMD8 Telatinib
VEGFR-2,3 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
57.8 14.13 1 1 -0.01 0.02 0.44 -0.3 No
63 63 good [0.97] TMD8 Cabozantinib (XL184, BMS-907351)
VEGFR-2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
58.17 -32.18 0.99 0.98 -0.03 0.02 0.48 -0.71 No
64 64 good [0.97] TMD8 Cediranib
VEGFR-1/2/3 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
64.01 -115.21 0.97 0.97 -0.05 0 0 -1.15 No
65 65 good [0.95] TMD8 BMS-794833
VEGFR-2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.17 157.49 1.04 1.04 -0 0.07 1.66 -0.08 No
66 66 good [0.98] TMD8 Lenvatinib (E7080)
VEGFR-1/2/3 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.33 -264.34 0.93 0.92 -0.1 0.01 0.18 -2.58 No
67 67 good [0.97] TMD8 OSI-632
VEGFR-2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
34.84 59.76 1.01 1.01 -0.01 0.03 0.86 -0.26 No
68 68 good [0.97] TMD8 Foretinib
VEGFR-2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.55 -224.05 0.94 0.93 -0.08 0 0.08 -1.95 No
69 69 good [0.93] TMD8 Regorafenib (BAY 73-4506)
VEGFR-2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
55.04 -44.32 0.99 0.99 -0.02 0.01 0.13 -0.57 No
70 70 good [0.98] TMD8 Dovitinib
FGFR inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
86.14 -9.65 0.99 0.99 -0.04 0.04 0.9 -0.99 No
71 71 good [0.94] TMD8 Masitinib
FGFR 3 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
83.89 -250.15 0.91 0.91 -0.1 0 0.01 -2.51 No
72 72 good [0.96] TMD8 PD-173074
FGFR 1/3 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.88 26.24 1 1 -0.02 0.03 0.71 -0.44 No
73 73 good [0.98] TMD8 SG-00529
mTORC1/2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
59.54 -135.19 0.95 0.95 -0.06 0.01 0.15 -1.5 No
74 74 good [0.83] TMD8 Amuvatinib
PDGFR alpha Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.25 -9.34 1 1 -0.02 0.02 0.4 -0.49 No
75 75 good [0.92] TMD8 OSI-930
PDGFR beta inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
90.5 -57.67 0.99 0.99 -0.05 0.03 0.68 -1.25 No
76 76 good [0.96] TMD8 Crizotinib (PF-02341066)
HGFR (MET; c-Met) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
84.86 -87.47 0.97 0.96 -0.06 0.03 0.73 -1.52 No
77 77 good [0.96] TMD8 PHA-665752
HGFR (MET; c-Met) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.14 -51.77 0.97 0.97 -0.03 0.01 0.3 -0.81 No
78 78 good [0.98] TMD8 BMS-777607
HGFR (MET; c-Met) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.2 -97.39 0.96 0.96 -0.05 0.01 0.28 -1.26 No
79 79 good [0.96] TMD8 PF-04217903
HGFR (MET; c-Met) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
78.58 3.32 1 1 -0.02 0.02 0.54 -0.5 No
80 80 good [0.97] TMD8 JNJ-38877605
HGFR (MET; c-Met) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
57.16 69.26 1.03 1.03 -0.01 0.04 0.93 -0.24 No
81 81 good [0.98] TMD8 SGX-523
HGFR (MET; c-Met) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.62 -212.95 0.94 0.94 -0.09 0 0.03 -2.16 No
82 82 good [1.00] TMD8 AMG-51
HGFR (MET; c-Met) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
58.92 -1.38 1.03 1.02 -0.01 0.03 0.82 -0.24 No
83 83 good [0.98] TMD8 Podofilox
Antimitotic Agent; IGF-1R Inhibitors
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.81 -99.57 0.98 0.93 -0.02 0 0.02 -0.41 No
84 84 good [0.97] TMD8 Linsitinib
IGF-1R Inhibitors
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.88 -116.23 0.96 0.96 -0.05 0.01 0.15 -1.31 No
85 85 good [0.97] TMD8 GSK-1904529A
IGF-1R Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
23.63 145.31 1.03 1.03 -0 0.06 1.53 -0.08 No
86 86 good [0.96] TMD8 Dorsomorphin
TGF-bR1 (ALK5) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.92 11.49 0.96 0.96 -0.08 0.1 2.5 -1.97 No
87 87 good [0.94] TMD8 LY2157299
TGF-bR1 (ALK5) and TGFbR2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
58.06 -5.87 0.99 0.99 -0.02 0.02 0.55 -0.61 No
88 88 good [0.98] TMD8 LY2109761
TGF-bR1 (ALK5) and TGFbR2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.11 -100.67 0.97 0.97 -0.05 0.01 0.18 -1.19 No
89 89 good [0.97] TMD8 A 83-01
TGF-bR1 (ALK5) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.76 -23.36 0.99 0.99 -0.02 0.01 0.2 -0.44 No
90 90 good [0.97] TMD8 SJN 2511
TGF-bR1 (ALK5) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
19.78 30.03 0.99 0.99 -0.02 0.03 0.76 -0.46 No
91 91 good [0.98] TMD8 SD-208
TGF-bR1 (ALK5) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.94 -244.99 0.92 0.92 -0.1 0 0.11 -2.56 No
92 92 good [0.96] TMD8 TAE-684
Anaplastic Lymphoma Kinase (ALK) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.4 -68.98 0.97 0.97 -0.05 0.03 0.63 -1.24 No
93 93 good [0.98] TMD8 SB-525334
TGF-bR1 (ALK5) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
75.87 23.51 1 1 -0.01 0.02 0.55 -0.31 No
94 94 good [0.90] TMD8 SB-431542
TGF-bR1 (ALK5) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.62 90.69 1.03 1.03 -0.01 0.04 1.1 -0.19 No
95 95 good [0.97] TMD8 Tandutinib
KIT inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
58.81 64.6 1.03 1.03 -0.01 0.04 0.9 -0.26 No
96 96 good [0.98] TMD8 Quizartinib
KIT inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.29 -58.02 0.99 0.98 -0.03 0.01 0.31 -0.65 No
97 97 good [0.98] TMD8 AZ-23
Tropomyosin Related Kinases (Trk) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.37 -114.5 0.97 0.97 -0.05 0.01 0.16 -1.3 No
98 98 good [0.98] TMD8 LDN-193189
Activin Receptor Like Kinase 3 (ALK3; BMPR-IA) Inhibitors
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
45.51 10.32 0.99 0.98 -0.03 0.04 1 -0.69 No
99 99 good [0.99] TMD8 PRT-060318
Syk Kinase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
58.09 -172.15 0.95 0.93 -0.05 0.01 0.31 -1.35 No
100 100 good [0.97] TMD8 R406
Syk Kinase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.97 -9.06 1.01 1 -0.03 0.04 0.94 -0.68 No
101 101 good [0.79] TMD8 Perifosine
PI3K kinase activator
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.53 -192.15 0.99 0.96 -0.07 0.01 0.27 -1.76 No
102 102 good [0.97] TMD8 GDC-0941
PI3K Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
56.81 -209.81 0.98 0.9 -0.02 0.01 0.26 -0.6 No
103 103 good [0.75] TMD8 GSK-2126458
PI3Kalpha/beta/delta/gamma Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
43.63 -63.4 1 0.99 -0.01 0.01 0.16 -0.23 No
104 104 good [0.98] TMD8 IC-87114
PI3K inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.06 -386.74 0.92 0.86 -0.09 0 0.07 -2.34 No
105 105 bad [0.40] TMD8 PIK-90
PI3K Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
51.55 -251.28 1.01 0.85 -0.02 0.02 0.39 -0.6 No
106 106 good [0.99] TMD8 BKM120 (NVP-BKM120, Buparlisib)
PI3Kalpha inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.52 -165.02 0.97 0.95 -0.06 0.02 0.42 -1.44 No
107 107 good [0.99] TMD8 CAL-101 (Idelalisib, GS-1101)
PI3Kdelta inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.3 -420.64 0.92 0.81 -0.07 0 0.04 -1.76 No
108 108 good [0.99] TMD8 BAG-956
PI3K/PDK1 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
64.58 -326.01 0.91 0.89 -0.09 0 0.08 -2.19 No
109 109 good [0.99] TMD8 AZD-6482
PI3Kbeta inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
73.02 -242 0.92 0.9 -0.08 0.01 0.29 -1.9 No
110 110 good [1.00] TMD8 CAY10626
PI3Kalpha inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
58.97 -357.65 0.93 0.84 -0.05 0.01 0.16 -1.25 No
111 111 good [0.96] TMD8 PI-103
PI3Kalpha, beta, gamma Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
58.52 -263.52 0.94 0.87 -0.05 0.01 0.13 -1.18 No
112 112 good [1.00] TMD8 17_-hydroxy Wortmannin
PI3K Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66 -407.34 0.9 0.81 -0.08 0 0.1 -1.92 No
113 113 good [0.97] TMD8 Deguelin
PI3K Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
77.95 -185.51 0.95 0.94 -0.07 0.01 0.2 -1.79 No
114 114 good [0.93] TMD8 MK-2206 2HCl
PKB/Akt Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
86.39 -416.59 0.89 0.87 -0.15 0.01 0.15 -3.63 No
115 115 good [0.99] TMD8 A-674563
Akt1/PKA Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.42 -51.25 1 1 -0.03 0.01 0.37 -0.66 No
116 116 good [0.98] TMD8 GSK-690693
Akt1/2/3 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.07 -247.35 0.95 0.93 -0.08 0 0.1 -1.96 No
117 117 good [1.00] TMD8 BEZ-235
mTOR inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
54.77 -325.06 0.98 0.84 -0.03 0.03 0.7 -0.79 No
118 118 good [0.99] TMD8 PF-05212384
mTOR inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
55.84 -264.53 0.96 0.88 -0.03 0.01 0.31 -0.77 No
119 119 good [0.95] TMD8 GDC-0980
mTOR inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.33 -244.48 0.92 0.87 -0.05 0.01 0.31 -1.3 No
120 120 good [1.00] TMD8 Torin-1
mTOR inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
58.73 -319.75 0.93 0.86 -0.05 0.02 0.38 -1.36 No
121 121 good [0.95] TMD8 Torin-2
mTORC1 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.02 -357.25 0.88 0.8 -0.08 0 0.07 -1.98 No
122 122 good [1.00] TMD8 AZD-8055
mTORC1/2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
46.09 -256.34 1.01 0.89 -0.01 0.03 0.77 -0.35 No
123 123 good [0.99] TMD8 OSI-027
mTORC1/2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
64.5 -346.36 0.93 0.88 -0.08 0.01 0.13 -2.01 No
124 124 good [1.00] TMD8 KU-0063794
mTORC1/2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
61.67 -235.12 0.94 0.91 -0.06 0.01 0.22 -1.42 No
125 125 good [0.99] TMD8 WYE-354
mTORC1/2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.16 -320.54 0.92 0.9 -0.1 0 0.04 -2.39 No
126 126 good [0.97] TMD8 Salirasib
mTOR Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
58.05 -76.57 0.97 0.97 -0.04 0.01 0.31 -1.07 No
127 127 good [0.99] TMD8 NU-7441
DNA-Dependent Protein Kinase (DNA-PK) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.89 -303.84 0.93 0.91 -0.1 0 0.03 -2.49 No
128 128 good [0.95] TMD8 KU 0060648
DNA-Dependent Protein Kinase (DNA-PK) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.47 -269.99 0.92 0.86 -0.06 0 0.06 -1.47 No
129 129 good [0.91] TMD8 NSC 23766
Rac1-GEF inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
59.97 -22.2 0.99 0.99 -0.02 0.01 0.35 -0.58 No
130 130 good [0.97] TMD8 NCGC00188866-01
Rac1 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.41 -145.46 0.95 0.95 -0.07 0.01 0.32 -1.78 No
131 131 good [0.97] TMD8 VX-702
p38 MAPK Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.05 -205.8 0.94 0.93 -0.08 0 0.1 -2.05 No
132 132 good [0.93] TMD8 SB-203580
p38 MAPK Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
56.01 10.54 1.01 1.01 -0.02 0.03 0.64 -0.53 No
133 133 good [0.97] TMD8 VX-745
p38 MAPK Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.09 -106.87 0.97 0.97 -0.05 0.01 0.15 -1.22 No
134 134 good [0.97] TMD8 Doramapimod
p38 MAPK Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.63 -115.86 0.96 0.96 -0.05 0.01 0.17 -1.33 No
135 135 good [0.79] TMD8 PH-797804
p38 MAPK Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
58.52 -144.67 0.97 0.97 -0.06 0 0.09 -1.52 No
136 136 good [0.98] TMD8 RWJ-67657
p38 MAPK Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.24 -147.67 0.97 0.96 -0.06 0.02 0.48 -1.57 No
137 137 good [0.95] TMD8 Talmapimod
p38 MAPK Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
51.63 -113.63 0.95 0.95 -0.06 0.01 0.36 -1.49 No
138 138 good [0.97] TMD8 FMK
MAPKAP-K1 (RSK; p90Rsk) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.4 -166.2 0.95 0.95 -0.07 0 0.01 -1.67 No
139 139 good [0.98] TMD8 BI-D1870
MAPKAP-K1 (RSK; p90Rsk) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.11 -184.68 0.95 0.95 -0.08 0.01 0.18 -1.97 No
140 140 good [0.98] TMD8 NCGC00253463-01
Chk1/2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.09 -191.79 0.96 0.88 -0.03 0 0.07 -0.82 No
141 141 good [0.97] TMD8 PHA-408
IKK-beta Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
64.75 -27.59 1 1 -0.04 0.03 0.84 -0.99 No
142 142 good [0.95] TMD8 Withaferin A
NF-kappaB Activation Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
77.25 -234.92 0.89 0.86 -0.07 0 0 -1.76 No
143 143 good [0.98] TMD8 BX-795
IKK-epsilon Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
79.62 -293.38 0.92 0.91 -0.11 0.01 0.12 -2.82 No
144 144 good [0.98] TMD8 Bardoxolone methyl
NF-kappaB signaling Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
84.45 -321.35 0.92 0.89 -0.09 0 0 -2.34 No
145 145 bad [0.67] TMD8 IKK16
IKK1, IKK-2, IKK complex inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
82.69 -190.54 0.96 0.93 -0.08 0.02 0.4 -1.89 No
146 146 good [0.95] TMD8 PF-184
IKK-2 (IKK-beta) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
55.52 -62.73 0.99 0.98 -0.03 0.02 0.6 -0.81 No
147 147 good [1.00] TMD8 IMD-0354
IKK-2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
42.35 -33.57 0.98 0.98 -0.03 0.02 0.49 -0.75 No
148 148 good [0.97] TMD8 PS-1145
IKK-2 (IKK-beta) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
63.04 -117.52 0.96 0.96 -0.05 0.01 0.13 -1.28 No
149 149 good [0.97] TMD8 MLN-120B
IKK beta inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.59 -55.61 0.98 0.98 -0.03 0.01 0.29 -0.85 No
150 150 good [1.00] TMD8 cycloheximide
GSK-3beta Inhibitor; tau Protein Kinase I Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
43.59 -162.37 0.99 0.94 -0.02 0.02 0.55 -0.4 No
151 151 good [0.97] TMD8 CT-99021
GSK-3 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.2 -3.78 1.01 1.01 -0.03 0.03 0.64 -0.66 No
152 152 good [0.85] TMD8 SB-216763
GSK-3 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
47.56 157.59 1.03 1.03 -0 0.07 1.64 -0.07 No
153 153 good [0.96] TMD8 NCGC00161703
NF-kB/AP-1 activation inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
73.44 -456.02 0.86 0.79 -0.11 0 0 -2.84 No
154 154 good [0.97] TMD8 WAY-204688
NF-kappaB Activation Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.6 -95.03 0.96 0.96 -0.04 0.01 0.17 -1.12 No
155 155 good [0.97] TMD8 Sulfasalazine
NFKB Activation Inhibitors
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
55.43 -37.38 0.99 0.99 -0.02 0.01 0.17 -0.55 No
156 156 good [0.98] TMD8 NCGC00263020-01
NFkappaB-inducing kinase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.51 -207.09 0.95 0.94 -0.08 0 0.11 -2.03 No
157 157 good [0.98] TMD8 BX-795
IKK-epsilon Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
75.79 19.96 1.01 1 -0.02 0.04 1.01 -0.61 No
158 158 good [0.97] TMD8 KU-60019
ATM Kinase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.54 -40.13 0.97 0.97 -0.03 0.02 0.4 -0.8 No
159 159 good [0.97] TMD8 KU-0064
ATM Kinase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
59.6 -141.81 0.96 0.96 -0.06 0 0.05 -1.46 No
160 160 good [0.97] TMD8 CP-466722
ATM Kinase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.88 -108.65 0.97 0.97 -0.05 0.01 0.23 -1.31 No
161 161 good [0.95] TMD8 SM-164
cIAP1/2 and XIAP inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
16.1 210.71 1.03 1.03 -0.01 0.1 2.38 -0.23 No
162 162 good [0.97] TMD8 TW-37
Bcl-xL inhibitor/Mcl-1 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
50.94 5.83 1.01 1 -0.01 0.04 0.91 -0.3 No
163 163 good [0.97] TMD8 (-)-Gossypol
Bcl-xL inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.73 -132.29 0.95 0.95 -0.06 0.01 0.25 -1.49 No
164 164 good [0.99] TMD8 Chelerythrine chloride
Bcl-xL inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.77 -169.48 0.97 0.96 -0.05 0.01 0.19 -1.34 No
165 165 good [1.00] TMD8 Obatoclax
Bcl-xL inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
39.65 -16.09 1 0.99 -0.01 0.03 0.79 -0.34 No
166 166 good [0.97] TMD8 ABT-263 (Navitoclax)
Bcl-xL inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
91.13 -547.84 0.89 0.83 -0.17 0 0.06 -4.29 No
167 167 good [0.96] TMD8 Nutlin-3
HDM2/HDMX inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.05 -259.96 0.95 0.93 -0.09 0 0.04 -2.15 No
168 168 good [0.97] TMD8 Ac-SAH-p53-8
HDM2/HDMX inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
59.25 -23.12 1 1 -0.02 0.01 0.27 -0.46 No
169 169 good [0.99] TMD8 JNJ-26854165 (Serdemetan)
MDM2 (hdm2) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.68 -180.1 0.96 0.96 -0.06 0 0.07 -1.41 No
170 170 good [0.97] TMD8 HLI-373989
MDM2 (hdm2) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
57.49 92.75 1.02 1.02 -0.01 0.04 1.07 -0.15 No
171 171 good [0.96] TMD8 SJ-172550
MDM4 (MDMX) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
64.12 4.72 1.04 1.02 -0.02 0.05 1.13 -0.5 No
172 172 good [0.91] TMD8 AZD7762
Chk1/2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.04 -275.28 0.91 0.82 -0.07 0 0.07 -1.75 No
173 173 good [0.99] TMD8 PF-477736
Chk1 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.03 -329.08 0.91 0.89 -0.1 0.01 0.14 -2.47 No
174 174 good [0.96] TMD8 Flavopiridol
CDK1/2/4/6/7/9 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.88 -200.94 0.93 0.91 -0.06 0.01 0.13 -1.58 No
175 175 good [0.97] TMD8 Purvalanol B
CDK1/2/3/4/5 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
49.34 4.99 0.99 0.99 -0.02 0.03 0.68 -0.58 No
176 176 good [0.98] TMD8 Seliciclib
CDK 1,2,5,7,9 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
53.75 -75.54 0.98 0.98 -0.04 0.01 0.24 -1 No
177 177 good [0.97] TMD8 PHA-690509
CDK2/Cyclin A Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
80.7 -252.72 0.92 0.91 -0.08 0 0.03 -2.05 No
178 178 good [0.96] TMD8 AT7519
CDK 1 & 2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.52 -155.7 0.98 0.96 -0.04 0 0.09 -1.09 No
179 179 good [0.97] TMD8 AT7519
CDK 1 & 2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.16 -106.64 0.97 0.96 -0.04 0.01 0.23 -0.93 No
180 180 good [0.97] TMD8 SNS-032
CDK2,7,9 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
84.65 -75.37 1 0.98 -0.03 0.01 0.33 -0.84 No
181 181 good [0.99] TMD8 PHA-793887
CDK1,2,3,4,5 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
75.68 -104.36 0.99 0.99 -0.06 0.03 0.69 -1.41 No
182 182 good [0.98] TMD8 Palbociclib (PD-0332991) HCl
CDK4, 6 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
64.17 -240.01 0.91 0.91 -0.1 0.01 0.34 -2.53 No
183 183 good [0.99] TMD8 DA-3003-1
Cell Division Cycle CDC25 Phosphatase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
63.19 -48.29 0.99 0.99 -0.02 0.01 0.27 -0.59 No
184 184 good [0.97] TMD8 JNJ-7706621
Aurora Kinase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.03 -32.29 1 0.99 -0.03 0.03 0.79 -0.76 No
185 185 good [0.94] TMD8 SNS-314
Aurora-A/B/C Kinase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
88.55 -119.85 0.99 0.99 -0.06 0.01 0.23 -1.43 No
186 186 good [0.96] TMD8 Tozasertib
Aurora-A/B/C Kinase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
84.95 -306.03 0.92 0.92 -0.12 0 0 -3.06 No
187 187 good [0.82] TMD8 Alisertib
Aurora-A inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.33 -168.78 0.97 0.95 -0.06 0.01 0.34 -1.59 No
188 188 good [0.91] TMD8 Danusertib (PHA-739358)
Aurora-A/B/C Kinase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
84.45 -122.07 1 0.98 -0.06 0.03 0.83 -1.44 No
189 189 good [0.98] TMD8 CYC-116
Aurora-A/B/C Kinase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.1 -85.71 1.01 0.99 -0.04 0.03 0.8 -1 No
190 190 good [0.97] TMD8 AZD-1152-HQPA
Aurora-A/B Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.53 -45.97 0.99 0.99 -0.04 0.02 0.45 -0.91 No
191 191 good [0.99] TMD8 AMG-900
Aurora-A/B/C Kinase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
78.43 -78.7 1 0.99 -0.06 0.03 0.86 -1.38 No
192 192 good [0.98] TMD8 ENMD-981693
Aurora-A Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
73 -119.26 0.97 0.97 -0.05 0 0.11 -1.3 No
193 193 good [0.98] TMD8 CHIR-265
Raf kinase B/C inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.66 -136.77 0.96 0.96 -0.06 0.01 0.16 -1.51 No
194 194 good [0.97] TMD8 AZ-628
Raf kinase B/C Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.47 -198.75 0.95 0.94 -0.07 0.01 0.21 -1.69 No
195 195 good [0.97] TMD8 Vemurafenib (PLX4032, RG7204)
Raf kinase B Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
6.08 55.7 1.01 1.01 -0 0.03 0.66 -0.1 No
196 196 good [0.97] TMD8 PLX-4720
Raf kinase B Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.05 -74.66 0.97 0.97 -0.03 0.01 0.17 -0.86 No
197 197 good [0.97] TMD8 AR-00341677
Raf kinase B Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
73.07 112.11 1.04 1.04 -0.01 0.05 1.31 -0.19 No
198 198 good [0.95] TMD8 RDEA-119
Mek 1/2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.25 -18.11 0.99 0.99 -0.02 0.01 0.28 -0.46 No
199 199 good [0.95] TMD8 Selumetinib
Mek1/2 inibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
52.97 -119 0.96 0.96 -0.06 0.01 0.35 -1.46 No
200 200 good [0.98] TMD8 PD 0325901
MEK inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.74 -270.8 0.92 0.91 -0.11 0 0.01 -2.7 No
201 201 good [0.98] TMD8 Trametinib
Mek 1/2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.27 -295.09 0.91 0.9 -0.11 0 0.1 -2.82 No
202 202 good [0.97] TMD8 TAK-733
MEK inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
43.04 -87.37 0.96 0.96 -0.04 0.02 0.41 -1.09 No
203 203 good [0.97] TMD8 XMD8-92
ERK5/BMK1 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
57.05 -63.25 0.98 0.98 -0.03 0.01 0.16 -0.8 No
204 204 good [0.97] TMD8 NCGC00242487
ERK inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
51.04 21.21 1 1 -0.02 0.03 0.63 -0.42 No
205 205 good [0.92] TMD8 S6K-18
p70 ribosomal S6 kinase (S6K1) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.57 27.74 1 1 -0.02 0.03 0.75 -0.47 No
206 206 good [0.98] TMD8 PF-4708671
p70 ribosomal S6 kinase (S6K1) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.69 -177.6 0.97 0.95 -0.06 0.01 0.27 -1.42 No
207 207 good [0.96] TMD8 PF-431396
Focal Adhesion Kinase (FAK) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.47 29.79 1.02 1.02 -0.04 0.05 1.21 -0.91 No
208 208 good [0.98] TMD8 PF-573228
Focal Adhesion Kinase (FAK) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.44 -225.98 0.93 0.93 -0.09 0 0.07 -2.18 No
209 209 medium [0.43] TMD8 Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
30.83 -18.6 1.04 0.99 -0.01 0.09 2.31 -0.19 No
210 210 good [0.96] TMD8 NCGC00188382-01
ITK inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
85.53 -329.73 0.89 0.88 -0.12 0 0.01 -2.91 No
211 211 good [0.98] TMD8 BMS-509744
ITK inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
63.25 -105.76 0.96 0.95 -0.06 0.02 0.54 -1.5 No
212 212 good [0.99] TMD8 PKC 412
PKC/flt3 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.32 -140.27 0.98 0.97 -0.04 0.01 0.28 -1.02 No
213 213 good [0.96] TMD8 Enzastaurin
PKCa, PKCb, PKCg inhbitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
53.54 -26.55 1 0.99 -0.02 0.02 0.47 -0.59 No
214 214 good [1.00] TMD8 Sotrastaurin
PKC inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
50.85 -66.51 1.02 0.98 -0.02 0.05 1.13 -0.43 No
215 215 good [0.99] TMD8 Ruboxistaurin mesilate
PKC beta Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.18 -299.88 0.93 0.91 -0.1 0 0.02 -2.38 No
216 216 good [0.97] TMD8 NCGC00263018-01
Brk/PTK6 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
46.51 39.66 1 1 -0.03 0.04 1.08 -0.68 No
217 217 good [0.94] TMD8 GW 843682X
Polo-like Kinase-1 (Plk-1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.79 10.78 1.02 1.01 -0.03 0.05 1.26 -0.68 No
218 218 good [0.99] TMD8 BI-2536
Polo-like Kinase-1 (Plk-1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.76 -326.43 0.92 0.88 -0.08 0 0.05 -2.1 No
219 219 good [0.98] TMD8 Volasertib (BI 6727)
Polo-like Kinase-1 (Plk-1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.52 -320.06 0.9 0.88 -0.09 0 0.03 -2.3 No
220 220 good [0.81] TMD8 GSK-461364A
Polo-like Kinase-1 (Plk-1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.56 -369.16 0.9 0.87 -0.11 0 0.08 -2.65 No
221 221 good [0.98] TMD8 KN-93
Calmodulin-Dependent Protein Kinase II Inhibitors
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.7 -61.84 0.99 0.99 -0.05 0.03 0.82 -1.26 No
222 222 good [0.97] TMD8 KN-62
Ca2+/calmodulin dependent protein kinase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.09 113.49 1.03 1.03 -0.02 0.07 1.63 -0.5 No
223 223 good [0.98] TMD8 GSK 269962
ROCK 1, ROCK 2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.57 -47.98 0.99 0.98 -0.04 0.02 0.56 -1.04 No
224 224 good [0.98] TMD8 Y-27632
ROCK 1, ROCK 2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.55 16.6 1.01 1 -0.01 0.02 0.53 -0.29 No
225 225 good [0.97] TMD8 GSK-650394
SGK1 and SGK2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.85 -128.19 0.96 0.96 -0.05 0 0.08 -1.35 No
226 226 good [0.98] TMD8 AZD-1480
Jak1/2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.6 -110.11 0.99 0.98 -0.05 0.02 0.47 -1.25 No
227 227 good [0.97] TMD8 Tofacitinib
Jak inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.03 47.5 1.02 1.02 -0.01 0.03 0.74 -0.21 No
228 228 good [0.97] TMD8 Ruxolitinib (INCB018424)
Jak1/2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
64.5 94.09 1.03 1.03 -0 0.04 1.07 -0.12 No
229 229 good [0.99] TMD8 CYT387
Jak1/2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.48 -198.19 0.95 0.94 -0.06 0.01 0.13 -1.54 No
230 230 good [0.96] TMD8 Lestaurtinib???
Jak/Tyk/Flt inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
73.95 -358.71 0.87 0.83 -0.1 0.01 0.13 -2.43 No
231 231 good [0.99] TMD8 SB1518
Jak2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.66 -239.72 0.94 0.93 -0.08 0 0.03 -2.07 No
232 232 good [0.97] TMD8 Leflunomide
Jak inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
63.42 72.27 1.02 1.02 -0.01 0.04 0.95 -0.23 No
233 233 good [0.97] TMD8 NVP-BSK805
Jak2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.79 -22 1 1 -0.03 0.02 0.44 -0.66 No
234 234 good [0.99] TMD8 Degrasyn
Jak2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
61.29 -61.35 0.98 0.98 -0.04 0.01 0.34 -0.9 No
235 235 good [0.98] TMD8 RO495
Tyk 2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
81.17 -319.8 0.91 0.9 -0.12 0 0.02 -2.91 No
236 236 good [0.92] TMD8 NCGC00244250-01
Tyk 2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60 -123.83 0.97 0.96 -0.07 0.03 0.66 -1.63 No
237 237 good [0.91] TMD8 NCGC00244250-01
Tyk 2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
63.07 -15.24 0.99 0.99 -0.03 0.03 0.76 -0.82 No
238 238 good [0.97] TMD8 ICG-001
Wnt Signaling Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
61.61 -129.28 0.97 0.96 -0.05 0.01 0.2 -1.19 No
239 239 good [0.97] TMD8 Wnt-C59
Wnt signaling modulator
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.28 -11.1 0.99 0.99 -0.02 0.02 0.5 -0.61 No
240 240 good [0.98] TMD8 D-4476
Casein Kinase I (CK1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
52.12 2.26 1 1 -0.02 0.02 0.51 -0.49 No
241 241 good [0.78] TMD8 Silmitasertib
Casein Kinase II (CK2) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
79.08 -203.88 1.01 0.96 -0.1 0.05 1.23 -2.45 No
242 242 good [0.83] TMD8 LDE225 (NVP-LDE225,Erismodegib)
Smo Receptor Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
54.42 20.26 1.02 1.01 -0.02 0.04 0.9 -0.5 No
243 243 good [0.97] TMD8 Cyclopamine
Smo Receptor Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
54.32 -65.2 0.98 0.98 -0.03 0.01 0.23 -0.75 No
244 244 good [0.97] TMD8 LY-2940680??
Smoothened (Smo) Receptor Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.46 -78.53 0.99 0.98 -0.04 0.02 0.49 -1.09 No
245 245 good [0.97] TMD8 SANT-2
Smoothened (Smo) Receptor Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
47.63 -112.71 0.96 0.96 -0.05 0.01 0.2 -1.33 No
246 246 good [0.98] TMD8 Hh-Ag1.5
Smoothened (Smo) receptor agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.27 -187.21 0.95 0.94 -0.08 0.01 0.37 -2.02 No
247 247 good [0.97] TMD8 Vismodegib (GDC-0449)
Hedgehog antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.29 87.53 1.02 1.02 -0.01 0.05 1.18 -0.23 No
248 248 good [0.90] TMD8 RO4929097
g-Secretase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.27 154.78 1.03 1.03 -0.02 0.08 1.95 -0.4 No
249 249 good [0.96] TMD8 MK-0752
g-Secretase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.87 24.62 1.01 1.01 -0.01 0.02 0.55 -0.3 No
250 250 good [0.97] TMD8 YO-01027
g-Secretase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
80.87 45.57 1.01 1.01 -0.01 0.03 0.79 -0.34 No
251 251 good [0.97] TMD8 GSI-9
g-Secretase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
53.89 -11.65 0.99 0.99 -0.02 0.03 0.63 -0.6 No
252 252 good [0.97] TMD8 NVP-XAV-939
TNKS1/TNKS2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.96 62.47 1.01 1.01 -0 0.03 0.71 -0.09 No
253 253 good [0.96] TMD8 NCGC00263015-01
TLR4 (LPS) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.49 -15.1 0.99 0.99 -0.02 0.02 0.51 -0.6 No
254 254 good [0.95] TMD8 CPG-52364
TLR 7, 8 and 9 antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
80.29 28.65 1.04 1.02 -0.02 0.06 1.41 -0.57 No
255 255 good [0.97] TMD8 IRAK-1-4 Inhibitor I
IRAK Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
18.94 99.22 1.01 1.01 -0.01 0.05 1.17 -0.17 No
256 256 good [0.92] TMD8 NCGC00241410-01
IRAK Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
55.51 -84.88 0.99 0.98 -0.05 0.02 0.61 -1.16 No
257 257 good [0.97] TMD8 NCGC00241411-01
IRAK Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.04 108.96 1.03 1.03 -0 0.05 1.21 -0.12 No
258 258 good [0.99] TMD8 BI-78D3
SAPK1 (JNK) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.22 68.99 1.04 1.04 -0.01 0.04 1.07 -0.29 No
259 259 good [0.96] TMD8 SR-3306
JNK 1/2/3 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.97 -104.01 0.97 0.92 -0.02 0 0.1 -0.57 No
260 260 good [0.93] TMD8 STF-083010
Serine/Threonine Kinase/Endoribonuclease IRE1 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.07 14.51 0.99 0.99 -0.03 0.03 0.84 -0.69 No
261 261 good [0.88] TMD8 Irestatin 9389
IRE1alpha/XBP-1 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
56.19 -83.23 0.97 0.97 -0.04 0.01 0.21 -1.04 No
262 262 good [0.96] TMD8 SB-265610
CXCR2 Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
53.93 0.41 0.99 0.99 -0.02 0.02 0.55 -0.54 No
263 263 good [0.97] TMD8 STA 5326
IL-12 Production Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
50.22 47.43 1.01 1.01 -0.01 0.03 0.78 -0.3 No
264 264 good [0.96] TMD8 PD-0220245
CXCR1/CXCR2 Receptor Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
63.44 -169.8 0.95 0.95 -0.07 0 0.02 -1.72 No
265 265 good [0.97] TMD8 KRP 203
S1P1/3/4 agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
59.94 -29.35 0.98 0.98 -0.03 0.02 0.38 -0.68 No
266 266 good [0.99] TMD8 AMG-47a
Lck Kinase Inhibitors
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.59 -207.63 0.94 0.93 -0.07 0.01 0.18 -1.69 No
267 267 good [0.98] TMD8 Pim 1 inhibitor 2
Pim-1 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
45.1 -28.23 0.99 0.99 -0.02 0.01 0.24 -0.53 No
268 268 good [0.97] TMD8 SGI-1776
Pim-1/Flt3 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.16 -144.84 0.96 0.96 -0.06 0 0.08 -1.53 No
269 269 good [0.96] TMD8 KI-20227
CSF1R (c-FMS) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
54.38 10.15 1 1 -0.02 0.02 0.5 -0.4 No
270 270 good [0.94] TMD8 ABT-702
Adenosine Kinase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
78.68 259.36 1.11 1.11 -0.01 0.12 2.94 -0.34 No
271 271 good [0.97] TMD8 AZ-3146
monopolar spindle 1 (Mps1)?kinase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
73.95 -214.75 0.93 0.93 -0.09 0.01 0.16 -2.3 No
272 272 good [0.99] TMD8 MK-1775
Wee1 Kinase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.91 -351.35 0.94 0.87 -0.07 0.01 0.2 -1.64 No
273 273 medium [0.59] TMD8 BMS-5
LIMK1/LIMK2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
73.61 -74.83 1 0.98 -0.03 0.02 0.57 -0.85 No
274 274 medium [0.44] TMD8 AMG-Tie2-1
Tie-2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.59 -159.8 0.97 0.95 -0.05 0.02 0.44 -1.17 No
275 275 good [0.98] TMD8 NVP231
Ceramide kinase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
75.78 -128.93 0.97 0.96 -0.07 0.02 0.51 -1.74 No
276 276 good [0.95] TMD8 D-NMAPPD
ceramidase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
64.81 -144.85 0.97 0.95 -0.06 0.02 0.52 -1.46 No
277 277 good [0.96] TMD8 Pazopanib
multi-kinase
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.11 -6.18 0.97 0.97 -0.04 0.04 0.88 -0.94 No
278 278 good [0.97] TMD8 TG-101348
multi-kinase
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.19 -131.97 0.98 0.97 -0.06 0.01 0.21 -1.53 No
279 279 good [0.74] TMD8 Alvespimycin hydrochloride
Heat Shock Protein 90 (hsp90) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
46.29 -17.16 0.98 0.98 -0.02 0.03 0.68 -0.58 No
280 280 good [0.95] TMD8 CCT-018159
Heat Shock Protein 90 (hsp90) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.45 153.45 1.06 1.05 -0 0.08 1.91 -0.09 No
281 281 good [0.97] TMD8 CNF-2024
Heat Shock Protein 90 (hsp90) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
58.42 -156.17 0.97 0.95 -0.04 0.01 0.23 -1.01 No
282 282 good [0.75] TMD8 NVP-AUY922
Heat Shock Protein 90 (hsp90) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
44.6 -87.98 1.01 0.98 -0.01 0 0.1 -0.15 No
283 283 good [0.90] TMD8 Elesclomol (STA-4783)
Heat Shock Protein 70 (hsp70) Inducer
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
53.3 -255.32 0.93 0.87 -0.05 0.03 0.77 -1.25 No
284 284 good [0.95] TMD8 VER-155008
Heat Shock Protein 70 (hsp70) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.88 -20.63 0.99 0.99 -0.03 0.02 0.61 -0.82 No
285 285 good [0.99] TMD8 ISOX
Histone Deacetylase (HDAC) 6 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
83.57 -280.18 0.93 0.9 -0.09 0.01 0.16 -2.13 No
286 286 good [0.99] TMD8 Vorinostat
Histone Deacetylase (HDAC) 1/2/3/6 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
75.77 -219.45 0.95 0.93 -0.06 0 0.06 -1.55 No
287 287 good [0.97] TMD8 AR-42
Histone Deacetylase (HDAC) 1/2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.65 -201.39 0.92 0.9 -0.06 0 0.08 -1.45 No
288 288 good [0.98] TMD8 Belinostat
Histone Deacetylase (HDAC) 1/2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
78.14 -348.96 0.89 0.87 -0.12 0 0.01 -2.88 No
289 289 good [1.00] TMD8 Mocetinostat
Histone Deacetylase (HDAC) 1 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
41.29 84.66 1.01 1.01 -0.01 0.05 1.31 -0.29 No
290 290 good [0.96] TMD8 Panobinostat (LBH589)
Histone Deacetylase (HDAC) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
49.86 -78.58 0.99 0.97 -0.01 0 0 -0.33 No
291 291 good [0.97] TMD8 Pracinostat
Histone Deacetylase (HDAC) 1/2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
82.24 -290.03 0.92 0.88 -0.08 0 0.02 -2.08 No
292 292 medium [0.65] TMD8 Romidepsin
Histone Deacetylase (HDAC) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
55.08 -6.26 1 1 -0 0 0 -0.03 No
293 293 good [0.98] TMD8 SRT1720
Histone Deacetylase/SIRT1 Activator
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
75.29 -19.87 1 1 -0.03 0.03 0.63 -0.83 No
294 294 good [0.97] TMD8 EX-527
Histone Deacetylase SIRT1 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.16 -26.4 0.99 0.99 -0.02 0.01 0.25 -0.52 No
295 295 good [0.99] TMD8 Entinostat
HDAC1 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.45 -53.88 1 0.99 -0.03 0.03 0.67 -0.74 No
296 296 good [0.87] TMD8 MG-149
Histone acetyltransferase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
49.33 -94.34 0.95 0.95 -0.06 0.02 0.51 -1.43 No
297 297 good [0.95] TMD8 Veliparib
PARP-1/PARP-2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.61 7.47 1 1 -0.02 0.02 0.5 -0.42 No
298 298 good [0.97] TMD8 Olaparib
PARP-1/PARP-2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.44 -1.89 0.99 0.99 -0.03 0.02 0.62 -0.64 No
299 299 good [0.97] TMD8 AG-14361
PARP-1 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
48.04 40.96 1.01 1.01 -0.01 0.03 0.7 -0.29 No
300 300 good [0.97] TMD8 Rucaparib
PARP-1/PARP-2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.71 -2.22 0.99 0.99 -0.02 0.02 0.5 -0.52 No
301 301 good [0.98] TMD8 Iniparib
PARP-1 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.65 -122.66 0.95 0.95 -0.06 0.01 0.23 -1.46 No
302 302 good [0.97] TMD8 MLN-2238??
Proteasome Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
42.86 -30.68 1.01 0.99 -0 0.02 0.46 -0.11 No
303 303 good [0.98] TMD8 Carfilzomib (PR-171)
Proteasome Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
79.86 -137.28 0.95 0.9 -0.03 0 0.02 -0.77 No
304 304 good [0.88] TMD8 Bortezomib
Proteasome Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
51.99 -16.5 1 1 -0 0 0.03 -0.07 No
305 305 good [0.95] TMD8 Tosedostat
Aminopeptidase N Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
52.22 72.17 1 1 -0.02 0.05 1.33 -0.61 No
306 306 good [0.98] TMD8 Teriflunomide
MMP-2, 9 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
78.69 -179.63 0.95 0.95 -0.08 0.01 0.13 -1.92 No
307 307 good [0.92] TMD8 PD-166793
MMP-13 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
27.17 63.19 1.01 1.01 -0.01 0.04 0.88 -0.25 No
308 308 good [0.98] TMD8 SSR-69071
Leukocyte Elastase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
53.7 57.62 1.01 1.01 -0.01 0.03 0.84 -0.27 No
309 309 good [0.96] TMD8 RG-108
DNA Methyltransferase (DNMT) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
53.26 -3.46 0.99 0.99 -0.02 0.02 0.38 -0.41 No
310 310 good [0.98] TMD8 BIX-01294
Histone-lysine N-methyltransferase EHMT2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.63 -31.3 1 0.99 -0.02 0.02 0.52 -0.41 No
311 311 good [0.95] TMD8 (+)-JQ1
Bromodomain-Containing Protein 4 (Brd4, HUNK1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.48 -243.27 0.91 0.89 -0.07 0 0.07 -1.79 No
312 312 good [0.96] TMD8 NCGC00185090-04
APE1 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
78.32 60.48 1.03 1.03 -0.01 0.04 1.04 -0.31 No
313 313 good [0.97] TMD8 NCGC00189393-02
BLM inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.25 -31.49 0.99 0.99 -0.03 0.01 0.33 -0.65 No
314 314 good [0.94] TMD8 NCGC00247866-02
BLM inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.47 -96.03 0.96 0.96 -0.05 0.01 0.25 -1.21 No
315 315 good [0.98] TMD8 NCGC00241036-01
JMJ inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.7 61.86 1.02 1.02 -0.01 0.04 0.89 -0.27 No
316 316 good [0.98] TMD8 ML324
JMJ inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.62 -132.78 0.96 0.96 -0.06 0 0.05 -1.38 No
317 317 good [0.94] TMD8 Tipifarnib
Farnesyltransferase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
79.29 -388.96 0.89 0.87 -0.12 0 0 -3.12 No
318 318 good [0.97] TMD8 LG100268
RXR agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
77.56 54.76 1.02 1.02 -0.01 0.03 0.84 -0.29 No
319 319 good [0.88] TMD8 AHPN
RARgamma Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
55.99 -204.66 0.94 0.92 -0.06 0.01 0.33 -1.38 No
320 320 good [0.97] TMD8 AC-261066
RARbeta2 Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.44 133.28 1.04 1.04 -0 0.06 1.41 -0.07 No
321 321 good [0.97] TMD8 Fenretinide
RARbeta/gamma Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.09 -183.49 0.94 0.94 -0.08 0.01 0.16 -1.97 No
322 322 good [0.89] TMD8 Hydrocortisone
immunosuppressant
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.51 -328.83 0.87 0.86 -0.14 0.01 0.19 -3.44 No
323 323 good [0.99] TMD8 Dexamethasone
Antiinflammatory; glucocorticoid receptor antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.86 -398.72 0.9 0.85 -0.1 0 0.09 -2.5 No
324 324 good [0.83] TMD8 Cortivazol
Glucocorticoid Receptor (GR) Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.03 -369.25 0.91 0.87 -0.11 0.02 0.46 -2.85 No
325 325 good [0.83] TMD8 Deacetyl cortivazol
Glucocorticoid Receptor (GR) Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.7 -354.96 0.89 0.85 -0.11 0.01 0.3 -2.85 No
326 326 good [0.98] TMD8 Abiraterone
Androgen Biosynthesis Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.26 -281.45 0.91 0.91 -0.11 0 0.02 -2.83 No
327 327 good [0.98] TMD8 2-Methoxyestradiol
Hypoxia Inducible Factor 1-alpha Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
77.05 -153.67 0.97 0.96 -0.07 0.02 0.51 -1.7 No
328 328 good [0.98] TMD8 Quercetine
flavanoid
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
50.4 -14.4 1 1 -0.02 0.01 0.35 -0.5 No
329 329 good [0.97] TMD8 1-alpha-Hydroxyergocalciferol
Vitamin D Analog
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.03 -15.49 0.99 0.99 -0.02 0.01 0.33 -0.49 No
330 330 good [0.97] TMD8 Seocalcitol
Vitamin D Analog
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.42 -86.72 0.97 0.97 -0.04 0 0.12 -0.98 No
331 331 good [0.97] TMD8 methyl jasmonate
cytochrome c release inducer
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
77.24 -150.25 0.96 0.96 -0.07 0.01 0.34 -1.85 No
332 332 good [0.98] TMD8 Bicalutamide
Androgen Receptor Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
43.28 25.33 1 1 -0.01 0.02 0.5 -0.25 No
333 333 good [0.97] TMD8 Andarine
Selective Androgen Receptor Modulators (SARM)?
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.41 27.22 1.01 1.01 -0.01 0.02 0.62 -0.35 No
334 334 good [0.97] TMD8 MDV-3100
Androgen Receptor Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.69 -20.02 0.99 0.99 -0.02 0.02 0.39 -0.59 No
335 335 good [0.98] TMD8 RD-162
Androgen Receptor Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
23.08 17.17 0.99 0.99 -0.02 0.02 0.55 -0.38 No
336 336 good [0.91] TMD8 CITCO
Constitutive androstane receptor agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.99 -88.43 0.97 0.97 -0.06 0.02 0.56 -1.44 No
337 337 good [0.91] TMD8 PK-11195
Constitutive Androstane Receptor Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
75.84 178.04 1.02 1.02 -0.01 0.08 1.98 -0.2 No
338 338 good [0.97] TMD8 Pioglitazone HCl
PPARgamma Agonists?
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.27 24.39 1 1 -0.01 0.02 0.6 -0.35 No
339 339 good [0.98] TMD8 GW-7647
PPARalpha Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
59.63 119.99 0.99 0.99 -0.02 0.07 1.69 -0.47 No
340 340 good [0.95] TMD8 GW-0742
PPARgamma Agonists?
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
50.44 14.8 0.99 0.99 -0.01 0.02 0.51 -0.36 No
341 341 good [0.97] TMD8 GW-501516
PPARdelta Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.85 -142.95 0.96 0.96 -0.06 0 0.07 -1.4 No
342 342 good [0.92] TMD8 Troglitazone
CCL2 Expression Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.6 49.88 1.01 1.01 -0.01 0.03 0.72 -0.22 No
343 343 good [0.96] TMD8 Telmisartan
Angiotensin AT1 Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
64.15 164.48 1.05 1.05 -0 0.07 1.65 -0.01 No
344 344 good [0.97] TMD8 GSK-3787
PPARdelta Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
55.91 -0.77 1 1 -0.02 0.02 0.38 -0.39 No
345 345 good [0.87] TMD8 MK-767
PPARalpha/gamma agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
52.91 -29.97 0.99 0.99 -0.03 0.02 0.42 -0.72 No
346 346 good [0.98] TMD8 SID 7969543
SF1 (NR5A1) Receptor Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
75.6 -148.86 0.96 0.96 -0.08 0.02 0.58 -1.96 No
347 347 good [0.97] TMD8 Bazedoxifene
Selective Estrogen Receptor Modulators (SERM)
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
81.15 105.83 1.04 1.04 -0.01 0.05 1.36 -0.3 No
348 348 good [0.97] TMD8 Triptolide
Inhibition of RNA polymerase II?mediated transcription
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
79.16 -195.27 0.92 0.87 -0.05 0 0 -1.25 No
349 349 good [0.97] TMD8 Apratastat
TNF-alpha-Converting Enzyme Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.03 -59.49 0.97 0.97 -0.04 0.02 0.52 -1.07 No
350 350 good [0.97] TMD8 HC-067047
TRPV4 Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.91 110.9 1.04 1.04 -0.01 0.05 1.31 -0.2 No
351 351 good [0.96] TMD8 DE-096
TRPV4 Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
81.5 -267.29 0.92 0.92 -0.11 0 0.03 -2.63 No
352 352 good [0.96] TMD8 GSK-3965
ABCA1 Expression Enhancer
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
76.5 4.51 1 1 -0.01 0.02 0.38 -0.33 No
353 353 good [0.97] TMD8 Omeprazole
ABCC3 Expression Enhancer
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
61.57 -167.87 0.95 0.95 -0.07 0 0.1 -1.7 No
354 354 good [0.97] TMD8 Elacridar
P-Glycoprotein (MDR-1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
53.59 -36.88 0.98 0.98 -0.03 0.02 0.41 -0.78 No
355 355 good [0.98] TMD8 Secin H3
GEF inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.36 -152.54 0.96 0.96 -0.06 0 0 -1.53 No
356 356 good [0.81] TMD8 CDIBA
Phospholipase C inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.64 -346.07 0.95 0.92 -0.13 0 0 -3.14 No
357 357 good [0.97] TMD8 U-73122??
Phospholipase C Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
53.96 -112.13 0.95 0.95 -0.07 0.02 0.52 -1.64 No
358 358 good [0.98] TMD8 BAY-60-7550
Phosphodiesterase II (PDE2A) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
75.78 108.75 1.03 1.03 -0.01 0.05 1.23 -0.14 No
359 359 good [0.97] TMD8 Anagrelide hydrochloride
Phosphodiesterase III (PDE3) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.33 70.03 1.02 1.02 -0.01 0.04 0.96 -0.26 No
360 360 good [0.97] TMD8 Olprinone
Phosphodiesterase III (PDE3) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.13 7.48 1 1 -0.01 0.02 0.41 -0.33 No
361 361 good [0.94] TMD8 NCGC00168459-01
Phosphodiesterase IIII (PDE4) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.23 -192.76 0.99 0.96 -0.05 0.01 0.31 -1.33 No
362 362 good [0.98] TMD8 NCGC00249759-01
Phosphodiesterase IIII (PDE4) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
53.15 63.63 1.01 1.01 -0.01 0.03 0.83 -0.19 No
363 363 good [0.97] TMD8 NVP-ABE171
Phosphodiesterase IIII (PDE4) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.89 -38.35 0.99 0.99 -0.02 0 0.12 -0.51 No
364 364 good [0.98] TMD8 Lirimilast
Phosphodiesterase IIII (PDE4) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
55.14 6.09 0.99 0.99 -0.03 0.04 0.88 -0.81 No
365 365 good [0.91] TMD8 Sildenafil citrate
Phosphodiesterase V (PDE5) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.46 -36.5 0.99 0.99 -0.03 0.02 0.45 -0.81 No
366 366 good [0.88] TMD8 Alacepril
Angiotensin-I Converting Enzyme Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
46.32 -77.26 0.97 0.97 -0.04 0.01 0.16 -0.92 No
367 367 good [0.98] TMD8 Ubenimex
Leukotriene A4 Hydrolase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.63 -17.38 0.99 0.99 -0.02 0.02 0.42 -0.59 No
368 368 good [0.97] TMD8 BAY-41-8543
Guanylate Cyclase Activator
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
73.77 24.23 1.01 1.01 -0.01 0.02 0.53 -0.28 No
369 369 good [0.97] TMD8 Vinpocetine
Na channel blocker, also PDE1, IKK inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.7 -94.6 0.97 0.97 -0.04 0 0.1 -1.04 No
370 370 good [0.97] TMD8 Verapamil
Calcium Channel Blocker
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.17 -40.71 0.99 0.99 -0.02 0.01 0.19 -0.6 No
371 371 good [0.97] TMD8 (S)-(+)-Niguldipine
L-type Ca2+ channel blocker
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.98 -133.65 0.97 0.96 -0.06 0.02 0.57 -1.52 No
372 372 good [0.97] TMD8 SR 33805
Ca2+ channel antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.32 -62.87 0.98 0.98 -0.04 0.01 0.28 -0.91 No
373 373 good [0.97] TMD8 Zaldaride maleate
Calmodulin Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
70.08 -46.58 0.99 0.99 -0.02 0 0.05 -0.52 No
374 374 good [0.97] TMD8 Riluzole
Glutamate Release Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
59.93 -13.35 0.99 0.99 -0.02 0.01 0.31 -0.45 No
375 375 good [0.97] TMD8 SSR-504734
Glycine Transporter 1 (GlyT-1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.33 -84.6 0.98 0.98 -0.04 0 0.12 -0.96 No
376 376 good [0.97] TMD8 SCH-900435
Glycine Transporter 1 (GlyT-1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.54 -179.87 0.95 0.94 -0.07 0.01 0.15 -1.86 No
377 377 good [0.96] TMD8 Ivacaftor
CFTR Channel Activator
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
46.78 -9.38 1 1 -0.02 0.01 0.35 -0.4 No
378 378 good [0.97] TMD8 Ivabradine hydrochloride
HCN [I(f)] Blockers
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
59.12 15.27 1 1 -0.02 0.02 0.62 -0.47 No
379 379 good [0.97] TMD8 ICI-D7288
HCN [I(h)] Blockers
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.9 -49.68 0.99 0.99 -0.03 0.01 0.27 -0.77 No
380 380 good [0.91] TMD8 GSK-1016790A
TRPV4 Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.62 -14.18 1.01 1.01 -0.04 0.03 0.86 -1.01 No
381 381 good [0.98] TMD8 Fenobam
mgluR5 Antagonists
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
59.31 -119.95 1 0.96 -0.04 0.04 1.07 -1.12 No
382 382 good [0.94] TMD8 MPEP
mgluR5 Antagonists
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
54.86 60.82 1.02 1.02 -0.01 0.04 1 -0.27 No
383 383 good [0.97] TMD8 Piboserod hydrochloride
5-HT4 Antagonists
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
63.58 -29.94 0.98 0.98 -0.03 0.02 0.39 -0.69 No
384 384 good [0.98] TMD8 SB-224289
5-HT1B Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.58 -289.48 0.91 0.9 -0.11 0 0.06 -2.75 No
385 385 good [0.97] TMD8 SB-206553
5-HT1A Receptor Partial Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.83 18.76 1.01 1 -0.02 0.03 0.66 -0.44 No
386 386 good [0.87] TMD8 Meclinertant
Carboxypeptidase A Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.69 -117.75 0.98 0.97 -0.05 0.01 0.2 -1.26 No
387 387 good [0.87] TMD8 Zibotentan
Endothelin ETA Receptor Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.61 8.13 1.01 1.01 -0.02 0.02 0.59 -0.51 No
388 388 good [0.98] TMD8 GW-4064X
Farnesoid X Receptor Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
48.36 17.5 1 1 -0.01 0.02 0.42 -0.24 No
389 389 medium [0.72] TMD8 Turofexorate isopropyl
Farnesoid X Receptor Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
48.06 -47.83 0.96 0.96 -0.05 0.03 0.71 -1.19 No
390 390 good [0.97] TMD8 GW-9508
Free Fatty Acid Receptor 1 Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
77.44 33.28 1.01 1.01 -0.01 0.03 0.66 -0.32 No
391 391 good [0.97] TMD8 AG-041R
gastrin/CCKB receptor antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.42 -161.46 0.96 0.96 -0.07 0.01 0.13 -1.75 No
392 392 good [0.98] TMD8 MK-0354
Nicotinic Acid Receptor Partial Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
45.4 28.58 1 1 -0.02 0.03 0.78 -0.49 No
393 393 good [0.97] TMD8 PB-28
sigma1/2 Receptor Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
61.7 -117.46 0.96 0.96 -0.05 0 0.06 -1.24 No
394 394 good [0.97] TMD8 Cutamesine hydrochloride
sigma1 Receptor Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.82 -31.03 0.99 0.99 -0.03 0.02 0.42 -0.73 No
395 395 good [0.98] TMD8 BD-1047
sigma Receptor Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
49.06 -46.83 0.98 0.98 -0.03 0.01 0.35 -0.82 No
396 396 good [0.98] TMD8 SCH-79797
PAR1 Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
75.76 -222.66 0.96 0.94 -0.07 0.01 0.19 -1.84 No
397 397 good [0.97] TMD8 Vorapaxar
PAR1 Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
59.79 -32.01 1 0.99 -0.02 0.01 0.27 -0.54 No
398 398 good [0.97] TMD8 GB 83
PAR2 Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.04 -47.2 0.99 0.99 -0.03 0.01 0.32 -0.79 No
399 399 good [0.97] TMD8 Aprepitant
Tachykinin NK1 Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.96 -96.28 0.97 0.97 -0.04 0 0.05 -1.01 No
400 400 good [0.97] TMD8 GR-159897
Tachykinin NK2 Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.47 -26.08 1 1 -0.02 0.01 0.16 -0.42 No
401 401 good [0.97] TMD8 Osanetant
Tachykinin NK3 Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
75.14 -39.63 1 1 -0.06 0.04 1.06 -1.46 No
402 402 good [0.97] TMD8 Rolofylline
Adenosine A1 Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.72 14.88 1 1 -0.02 0.03 0.7 -0.55 No
403 403 good [0.92] TMD8 Maraviroc
Chemokine CCR5 Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
44.44 75.49 1.01 1.01 -0.01 0.04 1.03 -0.27 No
404 404 good [0.97] TMD8 LY-320135
Cannabinoid CB1 Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
57.72 -35.49 0.99 0.99 -0.02 0.01 0.24 -0.6 No
405 405 good [0.97] TMD8 ACPA
cannabinoid CB1 antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
36.48 83.19 1.01 1.01 -0.01 0.04 0.96 -0.13 No
406 406 good [0.98] TMD8 MK-886
5-lipoxygenase-activating (FLAP) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
58.43 -3.94 1 1 -0.02 0.02 0.52 -0.56 No
407 407 good [0.98] TMD8 Veliflapon
5-lipoxygenase-activating (FLAP) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
61.63 -70.48 0.97 0.97 -0.04 0.01 0.22 -0.92 No
408 408 good [0.96] TMD8 Licofelone
5-Lipoxygenase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.56 65.33 1.01 1.01 -0 0.03 0.71 -0.05 No
409 409 medium [0.72] TMD8 Zileuton
5-Lipoxygenase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.79 -86.32 0.96 0.96 -0.06 0.03 0.71 -1.58 No
410 410 good [0.97] TMD8 NCGC00185053
15-Lipoxygenase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
56.56 -76.48 0.98 0.98 -0.03 0 0.08 -0.84 No
411 411 good [0.97] TMD8 Celecoxib
Cyclooxygenase-2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
63.81 -85.94 0.98 0.98 -0.04 0.01 0.24 -1.1 No
412 412 good [0.87] TMD8 Pravadoline
COX inhibitor and?cannabinoid (CB)?agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.54 15.93 1 1 -0.01 0.02 0.38 -0.22 No
413 413 good [0.97] TMD8 PF-3845
Fatty Acid Amide Hydrolase (FAAH) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.9 134.1 1.04 1.04 -0 0.06 1.39 -0.04 No
414 414 good [0.98] TMD8 Fluvastatin
HMG-CoA Reductase Inhibitors
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
45.56 49.81 1.01 1.01 -0 0.02 0.56 -0.06 No
415 415 good [0.97] TMD8 Simvastatin
HMG-CoA Reductase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
57.49 95.68 1.02 1.02 -0 0.04 1.08 -0.12 No
416 416 good [0.99] TMD8 Dalcetrapib
Cholesteryl Ester Transfer Protein (CETP) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
51.26 -75.07 0.99 0.97 -0.04 0.04 1.01 -1.1 No
417 417 good [0.99] TMD8 JK 184
Alcohol dehydrogenase 7 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.6 -279.08 0.94 0.9 -0.06 0 0.03 -1.61 No
418 418 good [0.95] TMD8 NCGC00037850
HPGD Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
63.54 73.84 1.01 1.01 -0.01 0.04 1.07 -0.33 No
419 419 good [0.99] TMD8 CAY10581
Indoleamine 2,3-dioxygenase (IDO) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.36 -146.67 0.98 0.97 -0.05 0.01 0.23 -1.28 No
420 420 good [0.97] TMD8 EBPC
Aldose Reductase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
45.78 75.49 1.01 1.01 -0.01 0.04 0.99 -0.23 No
421 421 good [0.98] TMD8 Piraxostat
Xanthine Oxidase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.19 -135.48 0.95 0.95 -0.05 0.01 0.22 -1.37 No
422 422 good [0.96] TMD8 JZL 184
Monoacylglycerol lipase (MAGL) inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.5 67.53 1.05 1.04 -0.01 0.05 1.28 -0.29 No
423 423 good [0.96] TMD8 GW 4869
Neutral Sphingomyelinase (N-SMase) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
20.66 85.11 1.02 1.02 -0.01 0.04 1.04 -0.19 No
424 424 good [0.93] TMD8 Ezatiostat
Glutathione-s-transferase P1 (GSTP1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.07 -14.96 1 1 -0.03 0.03 0.67 -0.82 No
425 425 good [0.98] TMD8 Vapiprost hydrochloride
Prostanoid TP Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.3 18.84 1.01 1.01 -0.02 0.02 0.62 -0.43 No
426 426 good [0.98] TMD8 Ezetimibe
NPC1L1 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
72.69 -22.1 1.02 1 -0.02 0.03 0.78 -0.59 No
427 427 good [0.94] TMD8 GSK-1995010
FAS inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
42.09 -12.26 0.99 0.98 -0.03 0.03 0.8 -0.65 No
428 428 good [0.94] TMD8 FASN BI
Fatty acid synthase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
47.51 -39.37 0.99 0.99 -0.04 0.03 0.71 -1 No
429 429 good [0.97] TMD8 GSK837149A
Fatty acid synthase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
65.95 -78.68 0.97 0.97 -0.04 0.01 0.23 -1.01 No
430 430 good [0.97] TMD8 FASN MRK
Fatty acid synthase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.44 -85.64 0.97 0.97 -0.04 0.01 0.29 -1.06 No
431 431 good [0.90] TMD8 FK866 (APO866, Daporinad)
NMPRTase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
18.61 17.91 1.05 1.01 -0 0.08 1.93 -0 No
432 432 good [0.97] TMD8 cPEPCK inhibitor
cPEPCK inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
48.6 -23.89 0.97 0.97 -0.04 0.03 0.85 -1.09 No
433 433 good [0.88] TMD8 GLS968
Glutaminase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
51.92 17.93 1.01 1.01 -0.01 0.02 0.42 -0.24 No
434 434 good [0.98] TMD8 IPFK2
Inducible phosphofructokinase-2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.44 -319.25 0.93 0.91 -0.1 0 0 -2.54 No
435 435 good [0.97] TMD8 NCGC00186528
PKM2 activator
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
75.55 -89.02 0.98 0.98 -0.04 0.01 0.23 -1.12 No
436 436 good [0.97] TMD8 NCGC00185916
PKM2 activator
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
64.15 -231.03 0.93 0.92 -0.08 0 0.1 -2.04 No
437 437 good [0.97] TMD8 AZD7545
Pyruvate Dehydrogenase Kinase 2 Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
20.46 21.86 1 1 -0.02 0.03 0.63 -0.41 No
438 438 medium [0.91] TMD8 PDHK RIKEN
Pyruvate dehydrogenase kinases inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
68.42 32.76 1.04 1.03 -0.02 0.04 0.91 -0.54 No
439 439 good [0.96] TMD8 NCGC00262689
Isocitrate dehydrogenase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.25 -10.07 1 1 -0.02 0.02 0.48 -0.55 No
440 440 good [0.97] TMD8 IDH-001
Isocitrate dehydrogenase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
55.58 -33.72 0.99 0.99 -0.03 0.01 0.37 -0.66 No
441 441 good [0.99] TMD8 AR-C155858
MCT1 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
60.03 -364.97 0.93 0.86 -0.07 0 0.07 -1.67 No
442 442 good [0.97] TMD8 CAP-232
Somatostatin srif2B (sst4) Agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.33 -0.08 1 1 -0.02 0.02 0.49 -0.49 No
443 443 good [0.96] TMD8 NCGC00238624
GALK inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.18 -25.97 1 1 -0.02 0.01 0.18 -0.44 No
444 444 good [0.97] TMD8 ACC1 BMS
Acetyl-CoA carboxylase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.46 -85.25 0.97 0.97 -0.04 0 0.11 -0.96 No
445 445 medium [0.63] TMD8 Ibutamoren mesilate
Growth Hormone Secretagogue
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.07 392.02 0.99 0.99 -0.03 0.19 4.75 -0.83 No
446 446 medium [0.76] TMD8 ML 141
Cdc42 GTPase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.9 -236.12 0.92 0.92 -0.09 0.01 0.19 -2.32 No
447 447 good [0.83] TMD8 QS11
ADP-ribosylation factor GTPase activating protein 1 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
49.36 187.27 1.06 1.05 -0.01 0.1 2.5 -0.14 No
448 448 good [0.96] TMD8 Gavestinel sodium
NMDA Glycine-Site Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
69.33 2.57 1 1 -0.01 0.01 0.37 -0.28 No
449 449 good [0.98] TMD8 Eliprodil
NMDA Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
71.28 -47.4 1 0.99 -0.03 0.01 0.36 -0.7 No
450 450 good [0.91] TMD8 Caroverine hydrochloride
AMPA Antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
64.52 -93.66 0.97 0.97 -0.04 0 0.09 -1.02 No
451 451 good [0.99] TMD8 GYKI-53655
AMPA receptor antagonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
67.61 -264.57 0.96 0.93 -0.07 0.01 0.18 -1.71 No
452 452 good [0.97] TMD8 Dapagliflozin
SGLT-2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
57.85 -12.22 0.99 0.99 -0.02 0.01 0.28 -0.4 No
453 453 good [0.90] TMD8 GSK-4112
Rev-erb alpha agonist
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
47.51 137.27 1.04 1.04 -0.01 0.07 1.7 -0.15 No
454 454 medium [0.64] TMD8 Sepantronium bromide
Survivin inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
54.58 -10.2 1 1 -0 0 0 -0.06 No
455 455 good [0.94] TMD8 BIBR 1532
Telomerase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
45.72 -52.36 0.97 0.97 -0.04 0.02 0.42 -0.94 No
456 456 good [0.97] TMD8 ITX3
Triple Functional Domain Protein (TRIO) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
61.2 -95.86 0.97 0.97 -0.05 0.01 0.2 -1.16 No
457 457 good [0.98] TMD8 Salinomycin
Anticoccidial/Antibacterial
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
74.19 -295.48 0.99 0.9 -0.07 0.02 0.61 -1.66 No
458 458 good [0.96] TMD8 Efavirenz
Reverse Transcriptase Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
57.11 75.58 1.03 1.02 -0.01 0.05 1.25 -0.23 No
459 459 good [0.95] TMD8 Ivachtin
Caspase 3 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
51.19 62.24 1.02 1.02 -0.01 0.04 1.05 -0.19 No
460 460 good [0.97] TMD8 PAC-1
Procaspase 3 Activator
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
63.61 -76.83 0.99 0.99 -0.04 0.01 0.28 -0.99 No
461 461 good [0.98] TMD8 Necrostatin-1
RIP Kinase inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.45 -171.06 0.96 0.95 -0.06 0.01 0.21 -1.58 No
462 462 good [0.95] TMD8 NCGC00262398
USP2 inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
57.02 40.29 1.02 1.01 -0.01 0.04 1.04 -0.35 No
463 463 good [0.94] TMD8 Tiplasinin
Plasminogen Activator Inhibitor (PAI-1) Inhibitor
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
56.74 9.37 1.01 1.01 -0.02 0.02 0.54 -0.44 No
464 464 good [0.74] TMD8 ASR-isobudimer-SO2Ph-4-CH2OC(O)NMe2
artemesinin analogue
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
52.68 -62.46 1 0.99 -0.02 0.01 0.19 -0.39 No
465 465 good [0.87] TMD8 BTM-2C-dimer ketone
artemesinin analogue
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
66.62 -232.88 0.93 0.91 -0.08 0.02 0.51 -1.99 No
466 466 good [0.94] TMD8 BTM-2C-dimer allyl oxime
artemesinin analogue
Ibrutinib (PCI-32765)
Btk/Lck/Lyn inhibitor
62.68 -85.52 1 0.97 -0.02 0.01 0.17 -0.38 No