Serial ComboID QCScore Cell Line A B Median Excess Num Excess Excess HSA Excess CRX LS 3x3 Beta Gamma DBSumPos DBSumNeg Self Cross Response Matrix Δ Bliss
1 1 8.0 TMD8 Bendamustine
Antimetabolite
Ibrutinib
Unknown
63.08 10 18.82 18.82 0 1.01 1.01 0.63 -0.45 No
2 2 8.0 TMD8 Lonidamine
hexokinase inactivator
Ibrutinib
Unknown
48.85 4 76.97 76.97 0 1.01 1.01 0.92 -0.15 No
3 3 8.0 TMD8 Lenalidomide
TNF-alpha Production Inhibitor
Ibrutinib
Unknown
83.47 17 -259.14 -259.14 -25.06 0.93 0.93 0.12 -2.71 No
4 4 8.0 TMD8 Cladribine
Adenosine Deaminase Inhibitor
Ibrutinib
Unknown
70.38 15 -47.49 -47.49 -8.74 0.99 0.99 0.5 -0.97 No
5 5 8.0 TMD8 Pentostatin
Adenosine Deaminase Inhibitor
Ibrutinib
Unknown
42.01 7 101.28 101.28 2.51 1.03 1.02 1.31 -0.27 No
6 6 8.0 TMD8 6-mercaptopurine
Purine Antagonist
Ibrutinib
Unknown
60.01 13 -38.71 -38.71 -3.47 0.99 0.98 0.66 -0.79 No
7 7 5.0 TMD8 Everolimus
mTOR inhibitor
Ibrutinib
Unknown
62.91 23 -420.59 -420.59 -22.76 0.93 0.82 0.07 -1.56 No
8 8 8.0 TMD8 Aminoglutethimide
Aromatase Inhibitor
Ibrutinib
Unknown
71.02 17 -61.08 -61.08 -3.18 0.98 0.98 0.5 -1.03 No
9 9 8.0 TMD8 4-Hydroxyandrostenedione
Aromatase Inhibitor
Ibrutinib
Unknown
60.75 12 3.48 3.48 -4.24 0.99 0.99 0.65 -0.62 No
10 10 8.0 TMD8 Letrozole
Aromatase Inhibitor
Ibrutinib
Unknown
68.92 12 -6.71 -6.71 -3.24 1 1 0.38 -0.45 No
11 11 8.0 TMD8 Pemetrexed disodium
thymidylate synthase inhibitor
Ibrutinib
Unknown
64.23 11 -120.4 -120.4 -16.84 1 0.97 0.45 -0.69 No
12 12 5.0 TMD8 Gemcitabine
ribonucleotide reductase inhibitor
Ibrutinib
Unknown
53.6 21 -289.3 -289.3 -17.87 0.96 0.89 0.43 -1.16 No
13 13 8.0 TMD8 Tamoxifen
Selective Estrogen Receptor Modulators (SERM)
Ibrutinib
Unknown
72.15 15 -156.23 -156.23 -13.38 0.94 0.94 0.35 -1.91 No
14 14 5.0 TMD8 Vincristine sulfate
Tubulin polymerization inhibitor
Ibrutinib
Unknown
52.61 24 -158.5 93.36 -17.62 0.97 0.9 0.03 -0.53 No
15 15 10.0 TMD8 Combretastatin A-4
Tubulin polymerization inhibitor
Ibrutinib
Unknown
41.71 9 -10.96 -10.96 0 1 1 0.01 -0.05 No
16 16 5.0 TMD8 Plinabulin
Tubulin polymerization inhibitor
Ibrutinib
Unknown
76.1 14 -257.79 -257.79 -21.63 0.86 0.83 0.07 -1.91 No
17 17 5.0 TMD8 Docetaxel
Tubulin depolymerization inhibitor
Ibrutinib
Unknown
66.94 24 -410.24 -410.24 -21.86 0.92 0.82 0.01 -1.75 No
18 18 8.0 TMD8 Blebbistatin
myosin II ATPase inhibitor
Ibrutinib
Unknown
59.5 17 -114.71 -114.71 -8.76 0.96 0.96 0.05 -1.19 No
19 19 5.0 TMD8 Ispinesib
Kinesin-Like Spindle Protein Inhibitor
Ibrutinib
Unknown
71.56 25 -504.88 1,039.04 -26.81 0.9 0.76 0 -2.27 No
20 20 5.0 TMD8 Doxorubicin
DNA Topoisomerase II Inhibitors
Ibrutinib
Unknown
72.78 18 -217.49 -217.49 -22.05 0.95 0.9 0.05 -1.38 No
21 21 5.0 TMD8 Topotecan hydrochloride
DNA Topoisomerase I Inhibitors
Ibrutinib
Unknown
79.12 18 -282.9 -282.9 -23.67 0.9 0.85 0.05 -1.94 No
22 22 8.0 TMD8 Cyclophosphamide
BCL2/LGALS1 Expression Inhibitor
Ibrutinib
Unknown
68.99 10 -51.55 -51.55 -4.82 0.99 0.99 0.12 -0.63 No
23 23 8.0 TMD8 5-Azacitidine
DNA Methyltransferase (DNMT) Inhibitor
Ibrutinib
Unknown
73.89 16 -204.44 -204.44 -20.88 0.95 0.94 0.15 -2.1 No
24 24 10.0 TMD8 Actinomycin D
DNA-Directed RNA Polymerase Inhibitor
Ibrutinib
Unknown
37.11 10 -3.16 143.81 0 1 1 0 -0.02 No
25 25 5.0 TMD8 Mithramycin
Alcohol Dehydrogenase Inhibitor
Ibrutinib
Unknown
65.55 18 -169.15 -169.15 -11.25 0.93 0.92 0.07 -1.36 No
26 26 8.0 TMD8 Itraconazole
cytochrome inhibitor
Ibrutinib
Unknown
59.73 17 -143.52 -143.52 -4.84 0.95 0.95 0.08 -1.52 No
27 27 8.0 TMD8 Hydroxychloroquine sulfate
Autophagy Inhibitor
Ibrutinib
Unknown
68.7 8 -32.49 -32.49 -2.2 0.99 0.99 0.44 -0.76 No
28 28 8.0 TMD8 Mifepristone
Progesterone Receptor Antagonist
Ibrutinib
Unknown
74.87 16 -115.98 -115.98 -13.42 0.98 0.98 0.43 -1.59 No
29 29 8.0 TMD8 Metformin HCl
AMP-Activated Protein Kinase (AMPK) Activator
Ibrutinib
Unknown
77.19 10 -11.8 -11.8 -0.53 1 1 0.53 -0.65 No
30 30 8.0 TMD8 Acadesine
AMP-Activated Protein Kinase (AMPK) Activator
Ibrutinib
Unknown
76.07 13 15.58 15.58 -6.74 1.03 1.03 0.97 -0.81 No
31 31 8.0 TMD8 A-769662
AMP-Activated Protein Kinase (AMPK) Activator
Ibrutinib
Unknown
61.73 14 -106.64 -106.64 -5.01 0.96 0.96 0.15 -1.22 No
32 32 8.0 TMD8 Imatinib
Bcr-Abl Inhibitor
Ibrutinib
Unknown
69.06 12 -45.07 -45.07 -3.3 0.99 0.99 0.33 -0.78 No
33 33 8.0 TMD8 Nilotinib
Bcr-Abl Kinase Inhibitor
Ibrutinib
Unknown
63.5 18 -197.67 -197.67 -18.45 0.93 0.93 0.24 -2.13 No
34 34 5.0 TMD8 Ponatinib
FGFR Inhibitor
Ibrutinib
Unknown
85.7 20 -361.78 -361.78 -34.09 0.89 0.88 0.17 -3.02 No
35 35 5.0 TMD8 DCC-2036
Bcr-Abl Inhibitor
Ibrutinib
Unknown
60.39 23 -200.45 -200.45 -11.59 0.96 0.93 0.22 -1.18 No
36 36 5.0 TMD8 Dasatinib
Bcr-Abl inhibitor
Ibrutinib
Unknown
54.15 22 -113.15 -113.15 -7.45 0.99 0.93 0.19 -0.43 No
37 37 8.0 TMD8 Bosutinib methanoate
Bcr-Abl inhibitor
Ibrutinib
Unknown
43.85 10 -53.9 -53.9 -8.2 0.97 0.96 0.81 -0.95 No
38 38 8.0 TMD8 Saracatinib
cSRC inhibitor
Ibrutinib
Unknown
76.9 20 -244.58 -244.58 -14.95 0.94 0.93 0 -2.22 No
39 39 5.0 TMD8 PD-166285
cSRC inhibitor
Ibrutinib
Unknown
71.95 23 -256.65 -256.65 -13.56 0.89 0.89 0.04 -2.31 No
40 40 8.0 TMD8 Vandetanib
EGFR (HER1; erbB1) Inhibitor
Ibrutinib
Unknown
83.27 8 62.6 62.6 -1.66 1.03 1.03 0.91 -0.28 No
41 41 8.0 TMD8 Erlotinib hydrochloride
EGFR (HER1; erbB1) inhibitor
Ibrutinib
Unknown
66.27 17 -151.5 -151.5 -10.02 0.95 0.95 0.08 -1.6 No
42 42 8.0 TMD8 Gefitinib
EGFR (HER1; erbB1) inhibitor
Ibrutinib
Unknown
73.94 13 -98.07 -98.07 -8.2 0.98 0.98 0.05 -1.03 No
43 43 8.0 TMD8 Lapatinib
EGFR (HER1; erbB1) inhibitor
Ibrutinib
Unknown
73.45 16 -156.98 -156.98 -16.89 0.95 0.95 0.12 -1.69 No
44 44 5.0 TMD8 Neratinib
EGFR (HER1; erbB1) inhibitor
Ibrutinib
Unknown
53.75 18 -82.89 6 -7.22 0.98 0.97 0.54 -0.66 No
45 45 8.0 TMD8 Canertinib
EGFR (HER1; erbB1) inhibitor
Ibrutinib
Unknown
51.79 4 513.44 513.44 4.76 1.14 1.13 5.81 -0.1 No
46 46 8.0 TMD8 AV-412
EGFR (HER1; erbB1) inhibitor
Ibrutinib
Unknown
81.91 9 144.39 144.39 -2.28 1.05 1.05 1.88 -0.32 No
47 47 8.0 TMD8 Dacomitinib
EGFR (HER1; erbB1) inhibitor
Ibrutinib
Unknown
73.66 8 -15.3 -15.3 -2.09 1 1 0.56 -0.72 No
48 48 8.0 TMD8 CP-724714
HER2 (erbB2) Inhibitor
Ibrutinib
Unknown
70.05 18 -145.63 -145.63 -7.72 0.96 0.96 0 -1.46 No
49 49 8.0 TMD8 Afatinib
EGFR (HER1; erbB1) inhibitor
Ibrutinib
Unknown
76.57 12 -20.6 -20.6 -3.51 1 1 0.34 -0.44 No
50 50 8.0 TMD8 AEE-788
EGFR (HER1; erbB1) inhibitor
Ibrutinib
Unknown
69.53 4 39.02 39.02 0 1 1 0.95 -0.56 No
51 51 5.0 TMD8 CUDC-101
EGFR (HER1; erbB1) inhibitor
Ibrutinib
Unknown
85.26 18 -253.94 -253.94 -22.85 0.91 0.89 0.07 -2 No
52 52 8.0 TMD8 Pelitinib
EGFR (HER1; erbB1) Inhibitor
Ibrutinib
Unknown
70.41 12 -62.94 -62.94 -4.46 1.01 0.99 0.82 -0.92 No
53 53 8.0 TMD8 WZ-4002
EGFR (HER1; erbB1) Inhibitor
Ibrutinib
Unknown
81.82 7 102.05 102.05 -2.18 1.04 1.03 1.97 -0.58 No
54 54 8.0 TMD8 Linifanib
VEGFR-2 inhibitor
Ibrutinib
Unknown
76.73 5 36.78 36.78 0 1.01 1.01 0.61 -0.25 No
55 55 8.0 TMD8 Axitinib
VEGFR-1/2/3 Inhibitor
Ibrutinib
Unknown
76.72 3 129.13 129.13 4.1 1.03 1.03 1.46 -0.17 No
56 56 8.0 TMD8 Sorafenib
VEGFR-1/2/3 Inhibitor
Ibrutinib
Unknown
65.83 12 -62.79 -62.79 -1.4 0.98 0.98 0.15 -0.77 No
57 57 8.0 TMD8 Vatalanib dihydrochloride
VEGFR-1,2,3 Inhibitor
Ibrutinib
Unknown
74.66 2 71.35 71.35 0 1.02 1.02 0.78 -0.07 No
58 58 8.0 TMD8 Motesanib
VEGFR-1,2,3 Inhibitor
Ibrutinib
Unknown
49.53 8 -7.89 -7.89 0 0.99 0.99 0.29 -0.37 No
59 59 8.0 TMD8 Tivozanib
VEGFR-1/2/3 Inhibitor
Ibrutinib
Unknown
52.52 8 9.01 9.01 -7.1 0.98 0.98 0.97 -0.82 No
60 60 5.0 TMD8 Vargatef
VEGFR-1/2/3 Inhibitor
Ibrutinib
Unknown
83.37 23 -350.95 -350.95 -27.36 0.89 0.87 0.01 -2.89 No
61 61 8.0 TMD8 Brivanib
VEGFR-2,3/FGFR1,2,3 Inhibitor
Ibrutinib
Unknown
64.96 11 -65.45 -65.45 -8.57 0.97 0.97 0.38 -1.03 No
62 62 8.0 TMD8 Telatinib
VEGFR-2,3 Inhibitor
Ibrutinib
Unknown
57.8 4 14.13 14.13 0 1 1 0.44 -0.3 No
63 63 8.0 TMD8 Cabozantinib
VEGFR-2 Inhibitor
Ibrutinib
Unknown
58.17 10 -32.18 -32.18 -5.73 0.99 0.98 0.48 -0.71 No
64 64 8.0 TMD8 Cediranib
VEGFR-1/2/3 inhibitor
Ibrutinib
Unknown
64.01 18 -115.21 -115.21 -8.62 0.97 0.97 0 -1.15 No
65 65 8.0 TMD8 BMS-794833
VEGFR-2 Inhibitor
Ibrutinib
Unknown
74.17 5 157.49 157.49 2 1.04 1.04 1.66 -0.08 No
66 66 8.0 TMD8 Lenvatinib
VEGFR-1/2/3 Inhibitor
Ibrutinib
Unknown
76.33 19 -264.34 -264.34 -18.76 0.93 0.92 0.18 -2.58 No
67 67 8.0 TMD8 OSI-632
VEGFR-2 Inhibitor
Ibrutinib
Unknown
34.84 5 59.76 59.76 0 1.01 1.01 0.86 -0.26 No
68 68 8.0 TMD8 Foretinib
VEGFR-2 Inhibitor
Ibrutinib
Unknown
67.55 19 -224.05 -224.05 -14.2 0.94 0.93 0.08 -1.95 No
69 69 8.0 TMD8 Regorafenib
VEGFR-2 Inhibitor
Ibrutinib
Unknown
55.04 12 -44.32 -44.32 -5.45 0.99 0.99 0.13 -0.57 No
70 70 8.0 TMD8 Dovitinib
FGFR inhibitor
Ibrutinib
Unknown
86.14 7 -9.65 -9.65 0 0.99 0.99 0.9 -0.99 No
71 71 8.0 TMD8 Masitinib
FGFR 3 Inhibitor
Ibrutinib
Unknown
83.89 20 -250.15 -250.15 -20.02 0.91 0.91 0.01 -2.51 No
72 72 8.0 TMD8 PD-173074
FGFR 1/3 inhibitor
Ibrutinib
Unknown
72.88 6 26.24 26.24 0 1 1 0.71 -0.44 No
73 73 8.0 TMD8 SG-00529
mTORC1/2 inhibitor
Ibrutinib
Unknown
59.54 18 -135.19 -135.19 -15.21 0.95 0.95 0.15 -1.5 No
74 74 8.0 TMD8 Amuvatinib
PDGFR alpha Inhibitor
Ibrutinib
Unknown
76.25 11 -9.34 -9.34 -2.42 1 1 0.4 -0.49 No
75 75 8.0 TMD8 OSI-930
PDGFR beta inhibitor
Ibrutinib
Unknown
90.5 10 -57.67 -57.67 -4.75 0.99 0.99 0.68 -1.25 No
76 76 8.0 TMD8 Crizotinib
HGFR (MET; c-Met) Inhibitor
Ibrutinib
Unknown
84.86 12 -87.47 -87.47 -13.72 0.97 0.96 0.73 -1.52 No
77 77 8.0 TMD8 PHA-665752
HGFR (MET; c-Met) Inhibitor
Ibrutinib
Unknown
62.14 12 -51.77 -51.77 -7.6 0.97 0.97 0.3 -0.81 No
78 78 8.0 TMD8 BMS-777607
HGFR (MET; c-Met) Inhibitor
Ibrutinib
Unknown
72.2 16 -97.39 -97.39 -5.24 0.96 0.96 0.28 -1.26 No
79 79 8.0 TMD8 PF-04217903
HGFR (MET; c-Met) Inhibitor
Ibrutinib
Unknown
78.58 10 3.32 3.32 -0.21 1 1 0.54 -0.5 No
80 80 8.0 TMD8 JNJ-38877605
HGFR (MET; c-Met) Inhibitor
Ibrutinib
Unknown
57.16 8 69.26 69.26 -0.7 1.03 1.03 0.93 -0.24 No
81 81 8.0 TMD8 SGX-523
HGFR (MET; c-Met) Inhibitor
Ibrutinib
Unknown
76.62 19 -212.95 -212.95 -16.54 0.94 0.94 0.03 -2.16 No
82 82 8.0 TMD8 AMG-51
HGFR (MET; c-Met) Inhibitor
Ibrutinib
Unknown
58.92 10 -1.38 -1.38 -3.3 1.03 1.02 0.82 -0.24 No
83 83 5.0 TMD8 Podofilox
Antimitotic Agent
Ibrutinib
Unknown
62.81 14 -99.57 -99.57 -2.25 0.98 0.93 0.02 -0.41 No
84 84 8.0 TMD8 Linsitinib
IGF-1R Inhibitors
Ibrutinib
Unknown
70.88 14 -116.23 -116.23 -7.01 0.96 0.96 0.15 -1.31 No
85 85 8.0 TMD8 GSK-1904529A
IGF-1R Inhibitor
Ibrutinib
Unknown
23.63 1 145.31 145.31 4.03 1.03 1.03 1.53 -0.08 No
86 86 5.0 TMD8 Dorsomorphin
TGF-bR1 (ALK5) inhibitor
Ibrutinib
Unknown
76.92 16 11.49 11.49 -11 0.96 0.96 2.5 -1.97 No
87 87 8.0 TMD8 LY2157299
TGF-bR1 (ALK5) and TGFbR2 inhibitor
Ibrutinib
Unknown
58.06 10 -5.87 -5.87 -1.79 0.99 0.99 0.55 -0.61 No
88 88 8.0 TMD8 LY2109761
TGF-bR1 (ALK5) and TGFbR2 inhibitor
Ibrutinib
Unknown
76.11 15 -100.67 -100.67 -5.82 0.97 0.97 0.18 -1.19 No
89 89 8.0 TMD8 A 83-01
TGF-bR1 (ALK5) inhibitor
Ibrutinib
Unknown
65.76 13 -23.36 -23.36 -3.28 0.99 0.99 0.2 -0.44 No
90 90 8.0 TMD8 SJN 2511
TGF-bR1 (ALK5) inhibitor
Ibrutinib
Unknown
19.78 6 30.03 30.03 0 0.99 0.99 0.76 -0.46 No
91 91 8.0 TMD8 SD-208
TGF-bR1 (ALK5) Inhibitor
Ibrutinib
Unknown
76.94 19 -244.99 -244.99 -19.44 0.92 0.92 0.11 -2.56 No
92 92 8.0 TMD8 TAE-684
Anaplastic Lymphoma Kinase (ALK) Inhibitor
Ibrutinib
Unknown
72.4 13 -68.98 -68.98 -1.88 0.97 0.97 0.63 -1.24 No
93 93 8.0 TMD8 SB-525334
TGF-bR1 (ALK5) inhibitor
Ibrutinib
Unknown
75.87 8 23.51 23.51 0 1 1 0.55 -0.31 No
94 94 8.0 TMD8 SB-431542
TGF-bR1 (ALK5) Inhibitor
Ibrutinib
Unknown
71.62 6 90.69 90.69 -0.27 1.03 1.03 1.1 -0.19 No
95 95 8.0 TMD8 Tandutinib
KIT inhibitor
Ibrutinib
Unknown
58.81 7 64.6 64.6 -1.06 1.03 1.03 0.9 -0.26 No
96 96 8.0 TMD8 Quizartinib
KIT inhibitor
Ibrutinib
Unknown
66.29 13 -58.02 -58.02 -4.82 0.99 0.98 0.31 -0.65 No
97 97 8.0 TMD8 AZ-23
Tropomyosin Related Kinases (Trk) inhibitor
Ibrutinib
Unknown
68.37 18 -114.5 -114.5 -6.27 0.97 0.97 0.16 -1.3 No
98 98 8.0 TMD8 LDN-193189
Activin Receptor Like Kinase 3 (ALK3; BMPR-IA) Inhibitors
Ibrutinib
Unknown
45.51 7 10.32 10.32 -3.26 0.99 0.98 1 -0.69 No
99 99 8.0 TMD8 PRT-060318
Syk Kinase inhibitor
Ibrutinib
Unknown
58.09 18 -172.15 -172.15 -10.78 0.95 0.93 0.31 -1.35 No
100 100 8.0 TMD8 R406
Syk Kinase inhibitor
Ibrutinib
Unknown
60.97 14 -9.06 -9.06 -5.84 1.01 1 0.94 -0.68 No
101 101 8.0 TMD8 Perifosine
PI3K kinase activator
Ibrutinib
Unknown
70.53 20 -192.15 -192.15 -14.23 0.99 0.96 0.27 -1.76 No
102 102 5.0 TMD8 GDC-0941
PI3K Inhibitor
Ibrutinib
Unknown
56.81 23 -209.81 -209.81 -15.01 0.98 0.9 0.26 -0.6 No
103 103 5.0 TMD8 GSK-2126458
PI3Kalpha/beta/delta/gamma Inhibitor
Ibrutinib
Unknown
43.63 24 -63.4 -63.4 -3.46 1 0.99 0.16 -0.23 No
104 104 5.0 TMD8 IC-87114
PI3K inhibitor
Ibrutinib
Unknown
74.06 23 -386.74 -386.74 -26.64 0.92 0.86 0.07 -2.34 No
105 105 5.0 TMD8 PIK-90
PI3K Inhibitor
Ibrutinib
Unknown
51.55 24 -251.28 77.34 -14.33 1.01 0.85 0.39 -0.6 No
106 106 8.0 TMD8 BKM-120
PI3Kalpha inhibitor
Ibrutinib
Unknown
68.52 19 -165.02 -165.02 -13.99 0.97 0.95 0.42 -1.44 No
107 107 5.0 TMD8 CAL-101
PI3Kdelta inhibitor
Ibrutinib
Unknown
68.3 23 -420.64 -420.64 -23.85 0.92 0.81 0.04 -1.76 No
108 108 5.0 TMD8 BAG-956
PI3K/PDK1 Inhibitor
Ibrutinib
Unknown
64.58 24 -326.01 -326.01 -20.69 0.91 0.89 0.08 -2.19 No
109 109 8.0 TMD8 AZD-6482
PI3Kbeta inhibitor
Ibrutinib
Unknown
73.02 19 -242 11.48 -14.36 0.92 0.9 0.29 -1.9 No
110 110 5.0 TMD8 CAY10626
PI3Kalpha inhibitor
Ibrutinib
Unknown
58.97 23 -357.65 -357.65 -16.72 0.93 0.84 0.16 -1.25 No
111 111 5.0 TMD8 PI-103
PI3Kalpha, beta, gamma Inhibitor
Ibrutinib
Unknown
58.52 24 -263.52 -263.52 -18.85 0.94 0.87 0.13 -1.18 No
112 112 5.0 TMD8 17_-hydroxy Wortmannin
PI3K Inhibitor
Ibrutinib
Unknown
66 25 -407.34 118.84 -22.65 0.9 0.81 0.1 -1.92 No
113 113 8.0 TMD8 Deguelin
PI3K Inhibitor
Ibrutinib
Unknown
77.95 17 -185.51 -185.51 -16.01 0.95 0.94 0.2 -1.79 No
114 114 8.0 TMD8 MK-2206
PKB/Akt Inhibitor
Ibrutinib
Unknown
86.39 22 -416.59 -416.59 -27.29 0.89 0.87 0.15 -3.63 No
115 115 8.0 TMD8 A-674563
Akt1/PKA Inhibitor
Ibrutinib
Unknown
74.42 16 -51.25 -51.25 -8.81 1 1 0.37 -0.66 No
116 116 8.0 TMD8 GSK-690693
Akt1/2/3 Inhibitor
Ibrutinib
Unknown
68.07 20 -247.35 -247.35 -18.56 0.95 0.93 0.1 -1.96 No
117 117 5.0 TMD8 BEZ-235
mTOR inhibitor
Ibrutinib
Unknown
54.77 22 -325.06 271.74 -18.57 0.98 0.84 0.7 -0.79 No
118 118 5.0 TMD8 PF-05212384
mTOR inhibitor
Ibrutinib
Unknown
55.84 24 -264.53 46.9 -19.73 0.96 0.88 0.31 -0.77 No
119 119 5.0 TMD8 GDC-0980
mTOR inhibitor
Ibrutinib
Unknown
60.33 19 -244.48 -244.48 -17.32 0.92 0.87 0.31 -1.3 No
120 120 5.0 TMD8 Torin-1
mTOR inhibitor
Ibrutinib
Unknown
58.73 23 -319.75 -319.75 -19.12 0.93 0.86 0.38 -1.36 No
121 121 5.0 TMD8 Torin-2
mTORC1 Inhibitor
Ibrutinib
Unknown
74.02 23 -357.25 14.35 -23.14 0.88 0.8 0.07 -1.98 No
122 122 5.0 TMD8 AZD-8055
mTORC1/2 Inhibitor
Ibrutinib
Unknown
46.09 21 -256.34 -256.34 -17.51 1.01 0.89 0.77 -0.35 No
123 123 5.0 TMD8 OSI-027
mTORC1/2 Inhibitor
Ibrutinib
Unknown
64.5 22 -346.36 -346.36 -24.19 0.93 0.88 0.13 -2.01 No
124 124 8.0 TMD8 KU-0063794
mTORC1/2 Inhibitor
Ibrutinib
Unknown
61.67 20 -235.12 -235.12 -13.74 0.94 0.91 0.22 -1.42 No
125 125 8.0 TMD8 WYE-354
mTORC1/2 inhibitor
Ibrutinib
Unknown
69.16 20 -320.54 -320.54 -20.23 0.92 0.9 0.04 -2.39 No
126 126 8.0 TMD8 Salirasib
mTOR Inhibitor
Ibrutinib
Unknown
58.05 13 -76.57 -76.57 -5.49 0.97 0.97 0.31 -1.07 No
127 127 8.0 TMD8 NU-7441
DNA-Dependent Protein Kinase (DNA-PK) Inhibitor
Ibrutinib
Unknown
72.9 21 -303.84 -303.84 -17.88 0.93 0.91 0.03 -2.49 No
128 128 5.0 TMD8 KU 0060648
DNA-Dependent Protein Kinase (DNA-PK) Inhibitor
Ibrutinib
Unknown
70.47 24 -269.99 -269.99 -17.45 0.92 0.86 0.06 -1.47 No
129 129 8.0 TMD8 NSC 23766
Rac1-GEF inhibitor
Ibrutinib
Unknown
59.97 10 -22.2 -22.2 -4.22 0.99 0.99 0.35 -0.58 No
130 130 8.0 TMD8 NCGC00188866-01
Rac1 inhibitor
Ibrutinib
Unknown
71.41 15 -145.46 -145.46 -16.7 0.95 0.95 0.32 -1.78 No
131 131 8.0 TMD8 VX-702
p38 MAPK Inhibitor
Ibrutinib
Unknown
66.05 19 -205.8 -205.8 -14.32 0.94 0.93 0.1 -2.05 No
132 132 8.0 TMD8 SB-203580
p38 MAPK Inhibitor
Ibrutinib
Unknown
56.01 13 10.54 10.54 -4.32 1.01 1.01 0.64 -0.53 No
133 133 8.0 TMD8 VX-745
p38 MAPK Inhibitor
Ibrutinib
Unknown
60.09 19 -106.87 -106.87 -5.53 0.97 0.97 0.15 -1.22 No
134 134 8.0 TMD8 Doramapimod
p38 MAPK Inhibitor
Ibrutinib
Unknown
68.63 14 -115.86 -115.86 -8.06 0.96 0.96 0.17 -1.33 No
135 135 8.0 TMD8 PH-797804
p38 MAPK Inhibitor
Ibrutinib
Unknown
58.52 17 -144.67 -144.67 -9.74 0.97 0.97 0.09 -1.52 No
136 136 8.0 TMD8 RWJ-67657
p38 MAPK Inhibitor
Ibrutinib
Unknown
76.24 17 -147.67 -147.67 -11.36 0.97 0.96 0.48 -1.57 No
137 137 8.0 TMD8 Talmapimod
p38 MAPK Inhibitor
Ibrutinib
Unknown
51.63 17 -113.63 -113.63 -10.93 0.95 0.95 0.36 -1.49 No
138 138 8.0 TMD8 FMK
MAPKAP-K1 (RSK; p90Rsk) Inhibitor
Ibrutinib
Unknown
70.4 18 -166.2 -166.2 -11.19 0.95 0.95 0.01 -1.67 No
139 139 8.0 TMD8 BI-D1870
MAPKAP-K1 (RSK; p90Rsk) Inhibitor
Ibrutinib
Unknown
72.11 16 -184.68 -184.68 -8.51 0.95 0.95 0.18 -1.97 No
140 140 5.0 TMD8 NCGC00253463-01
Chk1/2 inhibitor
Ibrutinib
Unknown
65.09 22 -191.79 80.88 -18.43 0.96 0.88 0.07 -0.82 No
141 141 8.0 TMD8 PHA-408
IKK-beta Inhibitor
Ibrutinib
Unknown
64.75 16 -27.59 -27.59 -7.85 1 1 0.84 -0.99 No
142 142 5.0 TMD8 Withaferin A
NF-kappaB Activation Inhibitor
Ibrutinib
Unknown
77.25 25 -234.92 -234.92 -18.02 0.89 0.86 0 -1.76 No
143 143 8.0 TMD8 BX-795
IKK-epsilon Inhibitor
Ibrutinib
Unknown
79.62 18 -293.38 -293.38 -26.91 0.92 0.91 0.12 -2.82 No
144 144 5.0 TMD8 Bardoxolone methyl
NF-kappaB signaling Inhibitor
Ibrutinib
Unknown
84.45 23 -321.35 4.64 -24.77 0.92 0.89 0 -2.34 No
145 145 7.0 TMD8 IKK16
IKK1, IKK-2, IKK complex inhibitor
Ibrutinib
Unknown
82.69 16 -190.54 119.19 -13.58 0.96 0.93 0.4 -1.89 No
146 146 8.0 TMD8 PF-184
IKK-2 (IKK-beta) Inhibitor
Ibrutinib
Unknown
55.52 13 -62.73 -62.73 -4.7 0.99 0.98 0.6 -0.81 No
147 147 8.0 TMD8 IMD-0354
IKK-2 Inhibitor
Ibrutinib
Unknown
42.35 13 -33.57 -33.57 -5.48 0.98 0.98 0.49 -0.75 No
148 148 8.0 TMD8 PS-1145
IKK-2 (IKK-beta) Inhibitor
Ibrutinib
Unknown
63.04 17 -117.52 -117.52 -8.39 0.96 0.96 0.13 -1.28 No
149 149 8.0 TMD8 MLN-120B
IKK beta inhibitor
Ibrutinib
Unknown
70.59 12 -55.61 -55.61 -5.88 0.98 0.98 0.29 -0.85 No
150 150 5.0 TMD8 cycloheximide
GSK-3beta Inhibitor
Ibrutinib
Unknown
43.59 24 -162.37 85.27 -10.63 0.99 0.94 0.55 -0.4 No
151 151 8.0 TMD8 CT-99021
GSK-3 inhibitor
Ibrutinib
Unknown
67.2 9 -3.78 -3.78 -3.45 1.01 1.01 0.64 -0.66 No
152 152 8.0 TMD8 SB-216763
GSK-3 inhibitor
Ibrutinib
Unknown
47.56 2 157.59 157.59 0 1.03 1.03 1.64 -0.07 No
153 153 5.0 TMD8 NCGC00161703
NF-kB/AP-1 activation inhibitor
Ibrutinib
Unknown
73.44 25 -456.02 28.54 -31.57 0.86 0.79 0 -2.84 No
154 154 8.0 TMD8 WAY-204688
NF-kappaB Activation Inhibitor
Ibrutinib
Unknown
65.6 15 -95.03 -95.03 -7.22 0.96 0.96 0.17 -1.12 No
155 155 8.0 TMD8 Sulfasalazine
NFKB Activation Inhibitors
Ibrutinib
Unknown
55.43 9 -37.38 -37.38 -2.73 0.99 0.99 0.17 -0.55 No
156 156 8.0 TMD8 NCGC00263020-01
NFkappaB-inducing kinase Inhibitor
Ibrutinib
Unknown
72.51 15 -207.09 -207.09 -11.21 0.95 0.94 0.11 -2.03 No
157 157 8.0 TMD8 BX-795
IKK-epsilon Inhibitor
Ibrutinib
Unknown
75.79 6 19.96 19.96 0 1.01 1 1.01 -0.61 No
158 158 8.0 TMD8 KU-60019
ATM Kinase Inhibitor
Ibrutinib
Unknown
62.54 8 -40.13 -40.13 -5.81 0.97 0.97 0.4 -0.8 No
159 159 8.0 TMD8 KU-0064
ATM Kinase Inhibitor
Ibrutinib
Unknown
59.6 15 -141.81 -141.81 -9.57 0.96 0.96 0.05 -1.46 No
160 160 8.0 TMD8 CP-466722
ATM Kinase Inhibitor
Ibrutinib
Unknown
65.88 15 -108.65 -108.65 -10.43 0.97 0.97 0.23 -1.31 No
161 161 11.0 TMD8 SM-164
cIAP1/2 and XIAP inhibitor
Ibrutinib
Unknown
16.1 6 210.71 210.71 0 1.03 1.03 2.38 -0.23 No
162 162 8.0 TMD8 TW-37
Bcl-xL inhibitor/Mcl-1 inhibitor
Ibrutinib
Unknown
50.94 9 5.83 5.83 -0.13 1.01 1 0.91 -0.3 No
163 163 8.0 TMD8 (-)-Gossypol
Bcl-xL inhibitor
Ibrutinib
Unknown
65.73 12 -132.29 -132.29 -9.33 0.95 0.95 0.25 -1.49 No
164 164 8.0 TMD8 Chelerythrine chloride
Bcl-xL inhibitor
Ibrutinib
Unknown
71.77 16 -169.48 -169.48 -12.85 0.97 0.96 0.19 -1.34 No
165 165 8.0 TMD8 Obatoclax
Bcl-xL inhibitor
Ibrutinib
Unknown
39.65 10 -16.09 -16.09 0 1 0.99 0.79 -0.34 No
166 166 8.0 TMD8 Navitoclax
Bcl-xL inhibitor
Ibrutinib
Unknown
91.13 24 -547.84 255.34 -40.34 0.89 0.83 0.06 -4.29 No
167 167 8.0 TMD8 Nutlin-3
HDM2/HDMX inhibitor
Ibrutinib
Unknown
69.05 21 -259.96 -259.96 -13.07 0.95 0.93 0.04 -2.15 No
168 168 8.0 TMD8 Ac-SAH-p53-8
HDM2/HDMX inhibitor
Ibrutinib
Unknown
59.25 13 -23.12 -23.12 -4.01 1 1 0.27 -0.46 No
169 169 8.0 TMD8 Serdemetan
MDM2 (hdm2) Inhibitor
Ibrutinib
Unknown
68.68 16 -180.1 -180.1 -19.77 0.96 0.96 0.07 -1.41 No
170 170 8.0 TMD8 HLI-373989
MDM2 (hdm2) Inhibitor
Ibrutinib
Unknown
57.49 3 92.75 92.75 0 1.02 1.02 1.07 -0.15 No
171 171 8.0 TMD8 SJ-172550
MDM4 (MDMX) Inhibitor
Ibrutinib
Unknown
64.12 16 4.72 4.72 -5.42 1.04 1.02 1.13 -0.5 No
172 172 5.0 TMD8 AZD-7762
Chk1/2 Inhibitor
Ibrutinib
Unknown
74.04 24 -275.28 -275.28 -25.14 0.91 0.82 0.07 -1.75 No
173 173 8.0 TMD8 PF-477736
Chk1 Inhibitor
Ibrutinib
Unknown
67.03 22 -329.08 -329.08 -21.66 0.91 0.89 0.14 -2.47 No
174 174 5.0 TMD8 Flavopiridol
CDK1/2/4/6/7/9 Inhibitor
Ibrutinib
Unknown
68.88 22 -200.94 -200.94 -14.15 0.93 0.91 0.13 -1.58 No
175 175 8.0 TMD8 Purvalanol B
CDK1/2/3/4/5 inhibitor
Ibrutinib
Unknown
49.34 9 4.99 4.99 -5.3 0.99 0.99 0.68 -0.58 No
176 176 8.0 TMD8 Seliciclib
CDK 1,2,5,7,9 Inhibitor
Ibrutinib
Unknown
53.75 12 -75.54 -75.54 -5.98 0.98 0.98 0.24 -1 No
177 177 5.0 TMD8 PHA-690509
CDK2/Cyclin A Inhibitor
Ibrutinib
Unknown
80.7 22 -252.72 -252.72 -13.42 0.92 0.91 0.03 -2.05 No
178 178 5.0 TMD8 AT7519
CDK 1 & 2 inhibitor
Ibrutinib
Unknown
69.52 21 -155.7 -155.7 -12.46 0.98 0.96 0.09 -1.09 No
179 179 5.0 TMD8 AT7519
CDK 1 & 2 inhibitor
Ibrutinib
Unknown
65.16 13 -106.64 0 -9.77 0.97 0.96 0.23 -0.93 No
180 180 5.0 TMD8 SNS-032
CDK2,7,9 Inhibitor
Ibrutinib
Unknown
84.65 15 -75.37 0 -5.31 1 0.98 0.33 -0.84 No
181 181 8.0 TMD8 PHA-793887
CDK1,2,3,4,5 Inhibitor
Ibrutinib
Unknown
75.68 14 -104.36 -104.36 -15.58 0.99 0.99 0.69 -1.41 No
182 182 8.0 TMD8 PD-0332991
CDK4, 6 Inhibitor
Ibrutinib
Unknown
64.17 17 -240.01 -240.01 -25.92 0.91 0.91 0.34 -2.53 No
183 183 8.0 TMD8 DA-3003-1
Cell Division Cycle CDC25 Phosphatase Inhibitor
Ibrutinib
Unknown
63.19 14 -48.29 -48.29 -5.81 0.99 0.99 0.27 -0.59 No
184 184 8.0 TMD8 JNJ-7706621
Aurora Kinase Inhibitor
Ibrutinib
Unknown
69.03 8 -32.29 -32.29 0 1 0.99 0.79 -0.76 No
185 185 8.0 TMD8 SNS-314
Aurora-A/B/C Kinase Inhibitor
Ibrutinib
Unknown
88.55 15 -119.85 -119.85 -11.31 0.99 0.99 0.23 -1.43 No
186 186 8.0 TMD8 Tozasertib
Aurora-A/B/C Kinase Inhibitor
Ibrutinib
Unknown
84.95 20 -306.03 -306.03 -16.03 0.92 0.92 0 -3.06 No
187 187 8.0 TMD8 Alisertib
Aurora-A inhibitor
Ibrutinib
Unknown
71.33 18 -168.78 -168.78 -13.17 0.97 0.95 0.34 -1.59 No
188 188 8.0 TMD8 Danusertib
Aurora-A/B/C Kinase Inhibitor
Ibrutinib
Unknown
84.45 13 -122.07 -122.07 -13.15 1 0.98 0.83 -1.44 No
189 189 8.0 TMD8 CYC-116
Aurora-A/B/C Kinase Inhibitor
Ibrutinib
Unknown
72.1 13 -85.71 -85.71 -8.76 1.01 0.99 0.8 -1 No
190 190 8.0 TMD8 AZD-1152-HQPA
Aurora-A/B Inhibitor
Ibrutinib
Unknown
74.53 15 -45.97 -45.97 -4.81 0.99 0.99 0.45 -0.91 No
191 191 8.0 TMD8 AMG-900
Aurora-A/B/C Kinase Inhibitor
Ibrutinib
Unknown
78.43 17 -78.7 -78.7 -11.49 1 0.99 0.86 -1.38 No
192 192 8.0 TMD8 ENMD-981693
Aurora-A Inhibitor
Ibrutinib
Unknown
73 15 -119.26 -119.26 -8.18 0.97 0.97 0.11 -1.3 No
193 193 8.0 TMD8 CHIR-265
Raf kinase B/C inhibitor
Ibrutinib
Unknown
72.66 16 -136.77 -136.77 -9.83 0.96 0.96 0.16 -1.51 No
194 194 8.0 TMD8 AZ-628
Raf kinase B/C Inhibitor
Ibrutinib
Unknown
74.47 15 -198.75 -198.75 -16.76 0.95 0.94 0.21 -1.69 No
195 195 8.0 TMD8 Vemurafenib
Raf kinase B Inhibitor
Ibrutinib
Unknown
6.08 5 55.7 55.7 0 1.01 1.01 0.66 -0.1 No
196 196 8.0 TMD8 PLX-4720
Raf kinase B Inhibitor
Ibrutinib
Unknown
69.05 15 -74.66 -74.66 -5.36 0.97 0.97 0.17 -0.86 No
197 197 8.0 TMD8 AR-00341677
Raf kinase B Inhibitor
Ibrutinib
Unknown
73.07 6 112.11 112.11 -1.37 1.04 1.04 1.31 -0.19 No
198 198 8.0 TMD8 RDEA-119
Mek 1/2 inhibitor
Ibrutinib
Unknown
67.25 11 -18.11 -18.11 -3.38 0.99 0.99 0.28 -0.46 No
199 199 8.0 TMD8 Selumetinib
Mek1/2 inibitor
Ibrutinib
Unknown
52.97 14 -119 -119 -14.4 0.96 0.96 0.35 -1.46 No
200 200 8.0 TMD8 PD 0325901
MEK inhibitor
Ibrutinib
Unknown
71.74 21 -270.8 -270.8 -15.58 0.92 0.91 0.01 -2.7 No
201 201 8.0 TMD8 Trametinib
Mek 1/2 inhibitor
Ibrutinib
Unknown
72.27 23 -295.09 -295.09 -19.23 0.91 0.9 0.1 -2.82 No
202 202 8.0 TMD8 TAK-733
MEK inhibitor
Ibrutinib
Unknown
43.04 18 -87.37 -87.37 -6.56 0.96 0.96 0.41 -1.09 No
203 203 8.0 TMD8 XMD8-92
ERK5/BMK1 inhibitor
Ibrutinib
Unknown
57.05 9 -63.25 -63.25 -5.53 0.98 0.98 0.16 -0.8 No
204 204 8.0 TMD8 NCGC00242487
ERK inhibitor
Ibrutinib
Unknown
51.04 9 21.21 21.21 -2.24 1 1 0.63 -0.42 No
205 205 8.0 TMD8 S6K-18
p70 ribosomal S6 kinase (S6K1) inhibitor
Ibrutinib
Unknown
65.57 10 27.74 27.74 -0.76 1 1 0.75 -0.47 No
206 206 8.0 TMD8 PF-4708671
p70 ribosomal S6 kinase (S6K1) inhibitor
Ibrutinib
Unknown
66.69 17 -177.6 -177.6 -15.65 0.97 0.95 0.27 -1.42 No
207 207 8.0 TMD8 PF-431396
Focal Adhesion Kinase (FAK) Inhibitor
Ibrutinib
Unknown
66.47 7 29.79 29.79 0 1.02 1.02 1.21 -0.91 No
208 208 8.0 TMD8 PF-573228
Focal Adhesion Kinase (FAK) Inhibitor
Ibrutinib
Unknown
70.44 17 -225.98 -225.98 -14.39 0.93 0.93 0.07 -2.18 No
209 209 5.0 TMD8 PCI-32765
Btk/Lck/Lyn inhibitor
Ibrutinib
Unknown
30.83 17 -18.6 19.08 -3.82 1.04 0.99 2.31 -0.19 No
210 210 5.0 TMD8 NCGC00188382-01
ITK inhibitor
Ibrutinib
Unknown
85.53 21 -329.73 -329.73 -22.44 0.89 0.88 0.01 -2.91 No
211 211 8.0 TMD8 BMS-509744
ITK inhibitor
Ibrutinib
Unknown
63.25 18 -105.76 -105.76 -5.7 0.96 0.95 0.54 -1.5 No
212 212 8.0 TMD8 Midostaurin
PKC/flt3 inhibitor
Ibrutinib
Unknown
68.32 19 -140.27 3.15 -14.81 0.98 0.97 0.28 -1.02 No
213 213 8.0 TMD8 Enzastaurin
PKCa, PKCb, PKCg inhbitor
Ibrutinib
Unknown
53.54 15 -26.55 -26.55 -3.11 1 0.99 0.47 -0.59 No
214 214 8.0 TMD8 Sotrastaurin
PKC inhibitor
Ibrutinib
Unknown
50.85 14 -66.51 -66.51 -12.64 1.02 0.98 1.13 -0.43 No
215 215 8.0 TMD8 Ruboxistaurin mesilate
PKC beta Inhibitor
Ibrutinib
Unknown
70.18 22 -299.88 -299.88 -21.52 0.93 0.91 0.02 -2.38 No
216 216 8.0 TMD8 NCGC00263018-01
Brk/PTK6 inhibitor
Ibrutinib
Unknown
46.51 10 39.66 39.66 0 1 1 1.08 -0.68 No
217 217 8.0 TMD8 GW 843682X
Polo-like Kinase-1 (Plk-1) Inhibitor
Ibrutinib
Unknown
72.79 6 10.78 10.78 2.05 1.02 1.01 1.26 -0.68 No
218 218 5.0 TMD8 BI-2536
Polo-like Kinase-1 (Plk-1) Inhibitor
Ibrutinib
Unknown
69.76 24 -326.43 8.11 -23.99 0.92 0.88 0.05 -2.1 No
219 219 5.0 TMD8 Volasertib
Polo-like Kinase-1 (Plk-1) Inhibitor
Ibrutinib
Unknown
70.52 22 -320.06 19.31 -27.48 0.9 0.88 0.03 -2.3 No
220 220 5.0 TMD8 GSK-461364A
Polo-like Kinase-1 (Plk-1) Inhibitor
Ibrutinib
Unknown
72.56 22 -369.16 -369.16 -29.6 0.9 0.87 0.08 -2.65 No
221 221 8.0 TMD8 KN-93
Calmodulin-Dependent Protein Kinase II Inhibitors
Ibrutinib
Unknown
74.7 16 -61.84 -61.84 -8.56 0.99 0.99 0.82 -1.26 No
222 222 8.0 TMD8 KN-62
Ca2+/calmodulin dependent kinase inhibitor
Ibrutinib
Unknown
74.09 9 113.49 113.49 -4.94 1.03 1.03 1.63 -0.5 No
223 223 8.0 TMD8 GSK-269962A
ROCK 1, ROCK 2 Inhibitor
Ibrutinib
Unknown
67.57 10 -47.98 -47.98 -6.32 0.99 0.98 0.56 -1.04 No
224 224 8.0 TMD8 Y-27632
ROCK 1, ROCK 2 Inhibitor
Ibrutinib
Unknown
67.55 8 16.6 16.6 -0.08 1.01 1 0.53 -0.29 No
225 225 8.0 TMD8 GSK-650394
SGK1 and SGK2 inhibitor
Ibrutinib
Unknown
60.85 17 -128.19 -128.19 -5.52 0.96 0.96 0.08 -1.35 No
226 226 8.0 TMD8 AZD-1480
Jak1/2 inhibitor
Ibrutinib
Unknown
65.6 19 -110.11 -110.11 -10.23 0.99 0.98 0.47 -1.25 No
227 227 8.0 TMD8 Tofacitinib
Jak inhibitor
Ibrutinib
Unknown
70.03 6 47.5 47.5 -1.77 1.02 1.02 0.74 -0.21 No
228 228 8.0 TMD8 Ruxolitinib
Jak1/2 inhibitor
Ibrutinib
Unknown
64.5 7 94.09 94.09 -0.59 1.03 1.03 1.07 -0.12 No
229 229 8.0 TMD8 CYT387
Jak1/2 inhibitor
Ibrutinib
Unknown
62.48 19 -198.19 -198.19 -14.69 0.95 0.94 0.13 -1.54 No
230 230 5.0 TMD8 Lestaurtinib???
Jak/Tyk/Flt inhibitor
Ibrutinib
Unknown
73.95 20 -358.71 38.95 -25.2 0.87 0.83 0.13 -2.43 No
231 231 8.0 TMD8 SB1518
Jak2 inhibitor
Ibrutinib
Unknown
71.66 22 -239.72 -239.72 -15.74 0.94 0.93 0.03 -2.07 No
232 232 8.0 TMD8 Leflunomide
Jak inhibitor
Ibrutinib
Unknown
63.42 7 72.27 72.27 0 1.02 1.02 0.95 -0.23 No
233 233 8.0 TMD8 NVP-BSK805
Jak2 inhibitor
Ibrutinib
Unknown
70.79 12 -22 -22 -5.68 1 1 0.44 -0.66 No
234 234 8.0 TMD8 Degrasyn
Jak2 Inhibitor
Ibrutinib
Unknown
61.29 14 -61.35 -61.35 -6.67 0.98 0.98 0.34 -0.9 No
235 235 8.0 TMD8 RO495
Tyk 2 inhibitor
Ibrutinib
Unknown
81.17 21 -319.8 -319.8 -23.27 0.91 0.9 0.02 -2.91 No
236 236 8.0 TMD8 NCGC00244250-01
Tyk 2 inhibitor
Ibrutinib
Unknown
60 16 -123.83 -123.83 -9.51 0.97 0.96 0.66 -1.63 No
237 237 8.0 TMD8 NCGC00244250-01
Tyk 2 inhibitor
Ibrutinib
Unknown
63.07 9 -15.24 -15.24 0 0.99 0.99 0.76 -0.82 No
238 238 8.0 TMD8 ICG-001
Wnt Signaling Inhibitor
Ibrutinib
Unknown
61.61 17 -129.28 -129.28 -10.44 0.97 0.96 0.2 -1.19 No
239 239 8.0 TMD8 Wnt-C59
Wnt signaling modulator
Ibrutinib
Unknown
71.28 11 -11.1 -11.1 -1.35 0.99 0.99 0.5 -0.61 No
240 240 8.0 TMD8 D-4476
Casein Kinase I (CK1) Inhibitor
Ibrutinib
Unknown
52.12 10 2.26 2.26 -3.48 1 1 0.51 -0.49 No
241 241 8.0 TMD8 Silmitasertib
Casein Kinase II (CK2) Inhibitor
Ibrutinib
Unknown
79.08 17 -203.88 -203.88 -26.05 1.01 0.96 1.23 -2.45 No
242 242 8.0 TMD8 NVP-LDE-225
Smo Receptor Antagonist
Ibrutinib
Unknown
54.42 9 20.26 20.26 -2.43 1.02 1.01 0.9 -0.5 No
243 243 8.0 TMD8 Cyclopamine
Smo Receptor Antagonist
Ibrutinib
Unknown
54.32 17 -65.2 -65.2 -6.83 0.98 0.98 0.23 -0.75 No
244 244 8.0 TMD8 LY-2940680??
Smoothened (Smo) Receptor Antagonist
Ibrutinib
Unknown
68.46 15 -78.53 -78.53 -7.51 0.99 0.98 0.49 -1.09 No
245 245 8.0 TMD8 SANT-2
Smoothened (Smo) Receptor Antagonist
Ibrutinib
Unknown
47.63 15 -112.71 -112.71 -8.57 0.96 0.96 0.2 -1.33 No
246 246 8.0 TMD8 Hh-Ag1.5
Smoothened (Smo) receptor agonist
Ibrutinib
Unknown
70.27 17 -187.21 -187.21 -16.21 0.95 0.94 0.37 -2.02 No
247 247 8.0 TMD8 Vismodegib
Hedgehog antagonist
Ibrutinib
Unknown
68.29 8 87.53 87.53 0 1.02 1.02 1.18 -0.23 No
248 248 8.0 TMD8 RO-4929097
g-Secretase Inhibitor
Ibrutinib
Unknown
67.27 9 154.78 154.78 0 1.03 1.03 1.95 -0.4 No
249 249 8.0 TMD8 MK-0752
g-Secretase Inhibitor
Ibrutinib
Unknown
65.87 8 24.62 24.62 -0 1.01 1.01 0.55 -0.3 No
250 250 8.0 TMD8 YO-01027
g-Secretase Inhibitor
Ibrutinib
Unknown
80.87 7 45.57 45.57 0 1.01 1.01 0.79 -0.34 No
251 251 8.0 TMD8 GSI-9
g-Secretase Inhibitor
Ibrutinib
Unknown
53.89 12 -11.65 -11.65 -0.63 0.99 0.99 0.63 -0.6 No
252 252 8.0 TMD8 NVP-XAV-939
TNKS1/TNKS2 Inhibitor
Ibrutinib
Unknown
71.96 3 62.47 62.47 0.49 1.01 1.01 0.71 -0.09 No
253 253 8.0 TMD8 NCGC00263015-01
TLR4 (LPS) inhibitor
Ibrutinib
Unknown
60.49 11 -15.1 -15.1 -2.26 0.99 0.99 0.51 -0.6 No
254 254 8.0 TMD8 CPG-52364
TLR 7, 8 and 9 antagonist
Ibrutinib
Unknown
80.29 5 28.65 28.65 0 1.04 1.02 1.41 -0.57 No
255 255 8.0 TMD8 IRAK-1-4 Inhibitor I
IRAK Inhibitor
Ibrutinib
Unknown
18.94 4 99.22 99.22 0 1.01 1.01 1.17 -0.17 No
256 256 8.0 TMD8 NCGC00241410-01
IRAK Inhibitor
Ibrutinib
Unknown
55.51 17 -84.88 -84.88 -5.93 0.99 0.98 0.61 -1.16 No
257 257 8.0 TMD8 NCGC00241411-01
IRAK Inhibitor
Ibrutinib
Unknown
69.04 5 108.96 108.96 3.14 1.03 1.03 1.21 -0.12 No
258 258 8.0 TMD8 BI-78D3
SAPK1 (JNK) Inhibitor
Ibrutinib
Unknown
72.22 11 68.99 68.99 -3.34 1.04 1.04 1.07 -0.29 No
259 259 5.0 TMD8 SR-3306
JNK 1/2/3 Inhibitor
Ibrutinib
Unknown
66.97 14 -104.01 -104.01 -2.23 0.97 0.92 0.1 -0.57 No
260 260 8.0 TMD8 STF-083010
Serine/Threonine Kinase/Endoribonuclease IRE1 Inhibitor
Ibrutinib
Unknown
66.07 7 14.51 14.51 0 0.99 0.99 0.84 -0.69 No
261 261 8.0 TMD8 Irestatin 9389
IRE1alpha/XBP-1 inhibitor
Ibrutinib
Unknown
56.19 14 -83.23 -83.23 -8.83 0.97 0.97 0.21 -1.04 No
262 262 8.0 TMD8 SB-265610
CXCR2 Antagonist
Ibrutinib
Unknown
53.93 10 0.41 0.41 -1.14 0.99 0.99 0.55 -0.54 No
263 263 8.0 TMD8 Apilimod
IL-12 Production Inhibitor
Ibrutinib
Unknown
50.22 11 47.43 47.43 -1.35 1.01 1.01 0.78 -0.3 No
264 264 8.0 TMD8 PD-0220245
CXCR1/CXCR2 Receptor Antagonist
Ibrutinib
Unknown
63.44 18 -169.8 -169.8 -9.19 0.95 0.95 0.02 -1.72 No
265 265 8.0 TMD8 KRP 203
S1P1/3/4 agonist
Ibrutinib
Unknown
59.94 9 -29.35 -29.35 -5.88 0.98 0.98 0.38 -0.68 No
266 266 8.0 TMD8 AMG-47a
Lck Kinase Inhibitors
Ibrutinib
Unknown
68.59 19 -207.63 -207.63 -15.02 0.94 0.93 0.18 -1.69 No
267 267 8.0 TMD8 Pim 1 inhibitor 2
Pim-1 inhibitor
Ibrutinib
Unknown
45.1 10 -28.23 -28.23 -3.87 0.99 0.99 0.24 -0.53 No
268 268 8.0 TMD8 SGI-1776
Pim-1/Flt3 Inhibitor
Ibrutinib
Unknown
66.16 17 -144.84 -144.84 -7.96 0.96 0.96 0.08 -1.53 No
269 269 8.0 TMD8 KI-20227
CSF1R (c-FMS) Inhibitor
Ibrutinib
Unknown
54.38 10 10.15 10.15 -2.74 1 1 0.5 -0.4 No
270 270 8.0 TMD8 ABT-702
Adenosine Kinase Inhibitor
Ibrutinib
Unknown
78.68 6 259.36 259.36 0.8 1.11 1.11 2.94 -0.34 No
271 271 8.0 TMD8 AZ-3146
monopolar spindle 1 (Mps1)?kinase inhibitor
Ibrutinib
Unknown
73.95 17 -214.75 -214.75 -17.92 0.93 0.93 0.16 -2.3 No
272 272 5.0 TMD8 MK-1775
Wee1 Kinase Inhibitor
Ibrutinib
Unknown
70.91 22 -351.35 -351.35 -23.69 0.94 0.87 0.2 -1.64 No
273 273 8.0 TMD8 BMS-5
LIMK1/LIMK2 inhibitor
Ibrutinib
Unknown
73.61 13 -74.83 -74.83 -5.84 1 0.98 0.57 -0.85 No
274 274 8.0 TMD8 AMG-Tie2-1
Tie-2 inhibitor
Ibrutinib
Unknown
67.59 19 -159.8 -159.8 -10.44 0.97 0.95 0.44 -1.17 No
275 275 8.0 TMD8 NVP231
Ceramide kinase inhibitor
Ibrutinib
Unknown
75.78 14 -128.93 -128.93 -9.35 0.97 0.96 0.51 -1.74 No
276 276 8.0 TMD8 D-NMAPPD
ceramidase inhibitor
Ibrutinib
Unknown
64.81 18 -144.85 -144.85 -12.56 0.97 0.95 0.52 -1.46 No
277 277 8.0 TMD8 Pazopanib
multi-kinase
Ibrutinib
Unknown
60.11 7 -6.18 -6.18 -0.75 0.97 0.97 0.88 -0.94 No
278 278 8.0 TMD8 TG-101348
multi-kinase
Ibrutinib
Unknown
71.19 13 -131.97 -131.97 -7.15 0.98 0.97 0.21 -1.53 No
279 279 5.0 TMD8 Alvespimycin hydrochloride
Heat Shock Protein 90 (hsp90) Inhibitor
Ibrutinib
Unknown
46.29 14 -17.16 -17.16 -2.34 0.98 0.98 0.68 -0.58 No
280 280 8.0 TMD8 CCT-018159
Heat Shock Protein 90 (hsp90) Inhibitor
Ibrutinib
Unknown
71.45 5 153.45 153.45 4.43 1.06 1.05 1.91 -0.09 No
281 281 5.0 TMD8 CNF-2024
Heat Shock Protein 90 (hsp90) Inhibitor
Ibrutinib
Unknown
58.42 22 -156.17 -156.17 -9.07 0.97 0.95 0.23 -1.01 No
282 282 5.0 TMD8 NVP-AUY922
Heat Shock Protein 90 (hsp90) Inhibitor
Ibrutinib
Unknown
44.6 22 -87.98 -87.98 -5.72 1.01 0.98 0.1 -0.15 No
283 283 5.0 TMD8 Elesclomol
Heat Shock Protein 70 (hsp70) Inducer
Ibrutinib
Unknown
53.3 21 -255.32 -255.32 -13.07 0.93 0.87 0.77 -1.25 No
284 284 8.0 TMD8 VER-155008
Heat Shock Protein 70 (hsp70) Inhibitor
Ibrutinib
Unknown
70.88 8 -20.63 -20.63 -3.46 0.99 0.99 0.61 -0.82 No
285 285 5.0 TMD8 ISOX
Histone Deacetylase (HDAC) 6 Inhibitor
Ibrutinib
Unknown
83.57 20 -280.18 11.05 -20.9 0.93 0.9 0.16 -2.13 No
286 286 5.0 TMD8 Vorinostat
Histone Deacetylase (HDAC) 1/2/3/6 Inhibitor
Ibrutinib
Unknown
75.77 15 -219.45 0 -20.25 0.95 0.93 0.06 -1.55 No
287 287 5.0 TMD8 AR-42
Histone Deacetylase (HDAC) 1/2 Inhibitor
Ibrutinib
Unknown
62.65 21 -201.39 -201.39 -11.93 0.92 0.9 0.08 -1.45 No
288 288 5.0 TMD8 Belinostat
Histone Deacetylase (HDAC) 1/2 Inhibitor
Ibrutinib
Unknown
78.14 22 -348.96 -348.96 -24 0.89 0.87 0.01 -2.88 No
289 289 8.0 TMD8 Mocetinostat
Histone Deacetylase (HDAC) 1 Inhibitor
Ibrutinib
Unknown
41.29 10 84.66 84.66 -2.12 1.01 1.01 1.31 -0.29 No
290 290 5.0 TMD8 Panobinostat
Histone Deacetylase (HDAC) Inhibitor
Ibrutinib
Unknown
49.86 14 -78.58 43.85 -3.44 0.99 0.97 0 -0.33 No
291 291 5.0 TMD8 Pracinostat
Histone Deacetylase (HDAC) 1/2 Inhibitor
Ibrutinib
Unknown
82.24 18 -290.03 0 -23.01 0.92 0.88 0.02 -2.08 No
292 292 5.0 TMD8 Romidepsin
Histone Deacetylase (HDAC) Inhibitor
Ibrutinib
Unknown
55.08 9 -6.26 -6.26 0 1 1 0 -0.03 No
293 293 8.0 TMD8 SRT1720
Histone Deacetylase/SIRT1 Activator
Ibrutinib
Unknown
75.29 11 -19.87 -19.87 -4.45 1 1 0.63 -0.83 No
294 294 8.0 TMD8 EX-527
Histone Deacetylase SIRT1 Inhibitor
Ibrutinib
Unknown
68.16 12 -26.4 -26.4 -1.57 0.99 0.99 0.25 -0.52 No
295 295 8.0 TMD8 Entinostat
HDAC1 Inhibitor
Ibrutinib
Unknown
67.45 14 -53.88 -53.88 -5.36 1 0.99 0.67 -0.74 No
296 296 8.0 TMD8 MG-149
Histone acetyltransferase inhibitor
Ibrutinib
Unknown
49.33 14 -94.34 -94.34 -15.78 0.95 0.95 0.51 -1.43 No
297 297 8.0 TMD8 Veliparib
PARP-1/PARP-2 Inhibitor
Ibrutinib
Unknown
67.61 9 7.47 7.47 0 1 1 0.5 -0.42 No
298 298 8.0 TMD8 Olaparib
PARP-1/PARP-2 Inhibitor
Ibrutinib
Unknown
66.44 9 -1.89 -1.89 0 0.99 0.99 0.62 -0.64 No
299 299 8.0 TMD8 AG-14361
PARP-1 Inhibitor
Ibrutinib
Unknown
48.04 11 40.96 40.96 -2.06 1.01 1.01 0.7 -0.29 No
300 300 8.0 TMD8 Rucaparib
PARP-1/PARP-2 Inhibitor
Ibrutinib
Unknown
70.71 10 -2.22 -2.22 -1.69 0.99 0.99 0.5 -0.52 No
301 301 8.0 TMD8 Iniparib
PARP-1 Inhibitor
Ibrutinib
Unknown
67.65 16 -122.66 -122.66 -10.63 0.95 0.95 0.23 -1.46 No
302 302 5.0 TMD8 MLN-2238??
Proteasome Inhibitor
Ibrutinib
Unknown
42.86 13 -30.68 -30.68 -3.66 1.01 0.99 0.46 -0.11 No
303 303 5.0 TMD8 Carfilzomib
Proteasome Inhibitor
Ibrutinib
Unknown
79.86 14 -137.28 38.27 -4.77 0.95 0.9 0.02 -0.77 No
304 304 5.0 TMD8 Bortezomib
Proteasome Inhibitor
Ibrutinib
Unknown
51.99 5 -16.5 0 0 1 1 0.03 -0.07 No
305 305 8.0 TMD8 Tosedostat
Aminopeptidase N Inhibitor
Ibrutinib
Unknown
52.22 10 72.17 72.17 -0.93 1 1 1.33 -0.61 No
306 306 8.0 TMD8 Teriflunomide
MMP-2, 9 Inhibitor
Ibrutinib
Unknown
78.69 18 -179.63 -179.63 -13.4 0.95 0.95 0.13 -1.92 No
307 307 8.0 TMD8 PD-166793
MMP-13 Inhibitor
Ibrutinib
Unknown
27.17 5 63.19 63.19 0 1.01 1.01 0.88 -0.25 No
308 308 8.0 TMD8 SSR-69071
Leukocyte Elastase Inhibitor
Ibrutinib
Unknown
53.7 6 57.62 57.62 -0.27 1.01 1.01 0.84 -0.27 No
309 309 8.0 TMD8 RG-108
DNA Methyltransferase (DNMT) Inhibitor
Ibrutinib
Unknown
53.26 8 -3.46 -3.46 0 0.99 0.99 0.38 -0.41 No
310 310 8.0 TMD8 BIX-01294
Histone-lysine N-methyltransferase EHMT2 Inhibitor
Ibrutinib
Unknown
60.63 12 -31.3 -31.3 -6 1 0.99 0.52 -0.41 No
311 311 5.0 TMD8 JQ1
Bromodomain-Containing Protein 4 (Brd4, HUNK1) Inhibitor
Ibrutinib
Unknown
68.48 24 -243.27 -243.27 -18.37 0.91 0.89 0.07 -1.79 No
312 312 8.0 TMD8 NCGC00185090-04
APE1 inhibitor
Ibrutinib
Unknown
78.32 7 60.48 60.48 -1.92 1.03 1.03 1.04 -0.31 No
313 313 8.0 TMD8 NCGC00189393-02
BLM inhibitor
Ibrutinib
Unknown
76.25 10 -31.49 -31.49 -2.1 0.99 0.99 0.33 -0.65 No
314 314 8.0 TMD8 NCGC00247866-02
BLM inhibitor
Ibrutinib
Unknown
60.47 16 -96.03 -96.03 -7.62 0.96 0.96 0.25 -1.21 No
315 315 8.0 TMD8 NCGC00241036-01
JMJ inhibitor
Ibrutinib
Unknown
70.7 8 61.86 61.86 -0.88 1.02 1.02 0.89 -0.27 No
316 316 8.0 TMD8 NCGC00183808-01
JMJ inhibitor
Ibrutinib
Unknown
72.62 17 -132.78 -132.78 -9.25 0.96 0.96 0.05 -1.38 No
317 317 8.0 TMD8 Tipifarnib
Farnesyltransferase Inhibitor
Ibrutinib
Unknown
79.29 25 -388.96 -388.96 -21.59 0.89 0.87 0 -3.12 No
318 318 8.0 TMD8 LG100268
RXR agonist
Ibrutinib
Unknown
77.56 8 54.76 54.76 1 1.02 1.02 0.84 -0.29 No
319 319 5.0 TMD8 AHPN
RARgamma Agonist
Ibrutinib
Unknown
55.99 18 -204.66 -204.66 -14.08 0.94 0.92 0.33 -1.38 No
320 320 8.0 TMD8 AC-261066
RARbeta2 Agonist
Ibrutinib
Unknown
65.44 3 133.28 133.28 1.63 1.04 1.04 1.41 -0.07 No
321 321 8.0 TMD8 Fenretinide
RARbeta/gamma Agonist
Ibrutinib
Unknown
70.09 14 -183.49 -183.49 -13.24 0.94 0.94 0.16 -1.97 No
322 322 8.0 TMD8 Hydrocortisone
immunosuppressant
Ibrutinib
Unknown
76.51 19 -328.83 -328.83 -17.09 0.87 0.86 0.19 -3.44 No
323 323 8.0 TMD8 Dexamethasone
Antiinflammatory
Ibrutinib
Unknown
69.86 24 -398.72 446.17 -23.17 0.9 0.85 0.09 -2.5 No
324 324 8.0 TMD8 Cortivazol
Glucocorticoid Receptor (GR) Agonist
Ibrutinib
Unknown
76.03 20 -369.25 -369.25 -28.35 0.91 0.87 0.46 -2.85 No
325 325 8.0 TMD8 Deacetyl cortivazol
Glucocorticoid Receptor (GR) Agonist
Ibrutinib
Unknown
71.7 23 -354.96 -354.96 -27.83 0.89 0.85 0.3 -2.85 No
326 326 8.0 TMD8 Abiraterone
Androgen Biosynthesis Inhibitor
Ibrutinib
Unknown
76.26 19 -281.45 -281.45 -15.61 0.91 0.91 0.02 -2.83 No
327 327 8.0 TMD8 2-Methoxyestradiol
Hypoxia Inducible Factor 1-alpha Inhibitor
Ibrutinib
Unknown
77.05 15 -153.67 -153.67 -17.95 0.97 0.96 0.51 -1.7 No
328 328 8.0 TMD8 Quercetine
flavanoid
Ibrutinib
Unknown
50.4 11 -14.4 -14.4 -4.12 1 1 0.35 -0.5 No
329 329 8.0 TMD8 1-alpha-Hydroxyergocalciferol
Vitamin D Analog
Ibrutinib
Unknown
66.03 12 -15.49 -15.49 -0.7 0.99 0.99 0.33 -0.49 No
330 330 8.0 TMD8 Seocalcitol
Vitamin D Analog
Ibrutinib
Unknown
68.42 16 -86.72 -86.72 -4.87 0.97 0.97 0.12 -0.98 No
331 331 8.0 TMD8 methyl jasmonate
cytochrome c release inducer
Ibrutinib
Unknown
77.24 16 -150.25 -150.25 -12.43 0.96 0.96 0.34 -1.85 No
332 332 8.0 TMD8 Bicalutamide
Androgen Receptor Antagonist
Ibrutinib
Unknown
43.28 8 25.33 25.33 -1.43 1 1 0.5 -0.25 No
333 333 8.0 TMD8 Andarine
Selective Androgen Receptor Modulators (SARM)?
Ibrutinib
Unknown
67.41 11 27.22 27.22 -1.8 1.01 1.01 0.62 -0.35 No
334 334 8.0 TMD8 MDV-3100
Androgen Receptor Antagonist
Ibrutinib
Unknown
65.69 11 -20.02 -20.02 -2.84 0.99 0.99 0.39 -0.59 No
335 335 8.0 TMD8 RD-162
Androgen Receptor Antagonist
Ibrutinib
Unknown
23.08 7 17.17 17.17 0 0.99 0.99 0.55 -0.38 No
336 336 8.0 TMD8 CITCO
Constitutive androstane receptor agonist
Ibrutinib
Unknown
70.99 15 -88.43 -88.43 -12.45 0.97 0.97 0.56 -1.44 No
337 337 8.0 TMD8 PK-11195
Constitutive Androstane Receptor Antagonist
Ibrutinib
Unknown
75.84 4 178.04 178.04 0 1.02 1.02 1.98 -0.2 No
338 338 8.0 TMD8 Pioglitazone HCl
PPARgamma Agonists?
Ibrutinib
Unknown
62.27 7 24.39 24.39 -2.15 1 1 0.6 -0.35 No
339 339 8.0 TMD8 GW-7647
PPARalpha Agonist
Ibrutinib
Unknown
59.63 8 119.99 119.99 -0.54 0.99 0.99 1.69 -0.47 No
340 340 8.0 TMD8 GW-0742
PPARgamma Agonists?
Ibrutinib
Unknown
50.44 7 14.8 14.8 0 0.99 0.99 0.51 -0.36 No
341 341 8.0 TMD8 GW-501516
PPARdelta Agonist
Ibrutinib
Unknown
67.85 18 -142.95 -142.95 -11.25 0.96 0.96 0.07 -1.4 No
342 342 8.0 TMD8 Troglitazone
CCL2 Expression Inhibitor
Ibrutinib
Unknown
70.6 7 49.88 49.88 -0.45 1.01 1.01 0.72 -0.22 No
343 343 8.0 TMD8 Telmisartan
Angiotensin AT1 Antagonist
Ibrutinib
Unknown
64.15 1 164.48 164.48 5.14 1.05 1.05 1.65 -0.01 No
344 344 8.0 TMD8 GSK-3787
PPARdelta Antagonist
Ibrutinib
Unknown
55.91 8 -0.77 -0.77 0 1 1 0.38 -0.39 No
345 345 8.0 TMD8 MK-767
PPARalpha/gamma agonist
Ibrutinib
Unknown
52.91 9 -29.97 -29.97 -3.31 0.99 0.99 0.42 -0.72 No
346 346 8.0 TMD8 SID 7969543
SF1 (NR5A1) Receptor Antagonist
Ibrutinib
Unknown
75.6 20 -148.86 -148.86 -14.92 0.96 0.96 0.58 -1.96 No
347 347 8.0 TMD8 Bazedoxifene
Selective Estrogen Receptor Modulators (SERM)
Ibrutinib
Unknown
81.15 6 105.83 105.83 0.04 1.04 1.04 1.36 -0.3 No
348 348 5.0 TMD8 Triptolide
Inhibition of RNA polymerase II?mediated transcription
Ibrutinib
Unknown
79.16 19 -195.27 27.89 -16.24 0.92 0.87 0 -1.25 No
349 349 8.0 TMD8 Apratastat
TNF-alpha-Converting Enzyme Inhibitor
Ibrutinib
Unknown
60.03 14 -59.49 -59.49 -6.97 0.97 0.97 0.52 -1.07 No
350 350 8.0 TMD8 HC-067047
TRPV4 Antagonist
Ibrutinib
Unknown
68.91 6 110.9 110.9 2.94 1.04 1.04 1.31 -0.2 No
351 351 8.0 TMD8 DE-096
TRPV4 Antagonist
Ibrutinib
Unknown
81.5 21 -267.29 -267.29 -16.29 0.92 0.92 0.03 -2.63 No
352 352 8.0 TMD8 GSK-3965
ABCA1 Expression Enhancer
Ibrutinib
Unknown
76.5 8 4.51 4.51 -0.03 1 1 0.38 -0.33 No
353 353 8.0 TMD8 Omeprazole
ABCC3 Expression Enhancer
Ibrutinib
Unknown
61.57 16 -167.87 -167.87 -7.46 0.95 0.95 0.1 -1.7 No
354 354 8.0 TMD8 Elacridar
P-Glycoprotein (MDR-1) Inhibitor
Ibrutinib
Unknown
53.59 11 -36.88 -36.88 -5.39 0.98 0.98 0.41 -0.78 No
355 355 8.0 TMD8 Secin H3
GEF inhibitor
Ibrutinib
Unknown
74.36 18 -152.54 -152.54 -9.29 0.96 0.96 0 -1.53 No
356 356 8.0 TMD8 CDIBA
Phospholipase C inhibitor
Ibrutinib
Unknown
74.64 20 -346.07 -346.07 -21.33 0.95 0.92 0 -3.14 No
357 357 8.0 TMD8 U-73122??
Phospholipase C Inhibitor
Ibrutinib
Unknown
53.96 13 -112.13 -112.13 -9.97 0.95 0.95 0.52 -1.64 No
358 358 8.0 TMD8 BAY-60-7550
Phosphodiesterase II (PDE2A) Inhibitor
Ibrutinib
Unknown
75.78 4 108.75 108.75 4.53 1.03 1.03 1.23 -0.14 No
359 359 8.0 TMD8 Anagrelide hydrochloride
Phosphodiesterase III (PDE3) inhibitor
Ibrutinib
Unknown
74.33 6 70.03 70.03 -1.72 1.02 1.02 0.96 -0.26 No
360 360 8.0 TMD8 Olprinone
Phosphodiesterase III (PDE3) Inhibitor
Ibrutinib
Unknown
68.13 11 7.48 7.48 -0.99 1 1 0.41 -0.33 No
361 361 8.0 TMD8 NCGC00168459-01
Phosphodiesterase IIII (PDE4) inhibitor
Ibrutinib
Unknown
62.23 19 -192.76 -192.76 -15.94 0.99 0.96 0.31 -1.33 No
362 362 8.0 TMD8 NCGC00249759-01
Phosphodiesterase IIII (PDE4) inhibitor
Ibrutinib
Unknown
53.15 5 63.63 63.63 0 1.01 1.01 0.83 -0.19 No
363 363 8.0 TMD8 NVP-ABE171
Phosphodiesterase IIII (PDE4) inhibitor
Ibrutinib
Unknown
62.89 9 -38.35 -38.35 -1.6 0.99 0.99 0.12 -0.51 No
364 364 8.0 TMD8 Lirimilast
Phosphodiesterase IIII (PDE4) inhibitor
Ibrutinib
Unknown
55.14 10 6.09 6.09 -4.19 0.99 0.99 0.88 -0.81 No
365 365 8.0 TMD8 Sildenafil citrate
Phosphodiesterase V (PDE5) inhibitor
Ibrutinib
Unknown
68.46 10 -36.5 -36.5 -4.97 0.99 0.99 0.45 -0.81 No
366 366 8.0 TMD8 Alacepril
Angiotensin-I Converting Enzyme Inhibitor
Ibrutinib
Unknown
46.32 14 -77.26 -77.26 -4.73 0.97 0.97 0.16 -0.92 No
367 367 8.0 TMD8 Ubenimex
Leukotriene A4 Hydrolase Inhibitor
Ibrutinib
Unknown
65.63 7 -17.38 -17.38 -4.38 0.99 0.99 0.42 -0.59 No
368 368 8.0 TMD8 BAY-41-8543
Guanylate Cyclase Activator
Ibrutinib
Unknown
73.77 7 24.23 24.23 -2.86 1.01 1.01 0.53 -0.28 No
369 369 8.0 TMD8 Vinpocetine
Na+ channel inhibitor
Ibrutinib
Unknown
62.7 12 -94.6 -94.6 -11.34 0.97 0.97 0.1 -1.04 No
370 370 8.0 TMD8 Verapamil
Calcium Channel Blocker
Ibrutinib
Unknown
67.17 10 -40.71 -40.71 -5.86 0.99 0.99 0.19 -0.6 No
371 371 8.0 TMD8 (S)-(+)-Niguldipine
L-type Ca2+ channel blocker
Ibrutinib
Unknown
65.98 14 -133.65 -133.65 -13.88 0.97 0.96 0.57 -1.52 No
372 372 8.0 TMD8 SR 33805
Ca2+ channel antagonist
Ibrutinib
Unknown
71.32 13 -62.87 -62.87 -8.02 0.98 0.98 0.28 -0.91 No
373 373 8.0 TMD8 Zaldaride maleate
Calmodulin Antagonist
Ibrutinib
Unknown
70.08 10 -46.58 -46.58 -5.23 0.99 0.99 0.05 -0.52 No
374 374 8.0 TMD8 Riluzole
Glutamate Release Inhibitor
Ibrutinib
Unknown
59.93 9 -13.35 -13.35 -3.14 0.99 0.99 0.31 -0.45 No
375 375 8.0 TMD8 SSR-504734
Glycine Transporter 1 (GlyT-1) Inhibitor
Ibrutinib
Unknown
65.33 14 -84.6 -84.6 -6.87 0.98 0.98 0.12 -0.96 No
376 376 8.0 TMD8 SCH-900435
Glycine Transporter 1 (GlyT-1) Inhibitor
Ibrutinib
Unknown
71.54 18 -179.87 -179.87 -11.81 0.95 0.94 0.15 -1.86 No
377 377 8.0 TMD8 Ivacaftor
CFTR Channel Activator
Ibrutinib
Unknown
46.78 8 -9.38 -9.38 0 1 1 0.35 -0.4 No
378 378 8.0 TMD8 Ivabradine hydrochloride
HCN [I(f)] Blockers
Ibrutinib
Unknown
59.12 7 15.27 15.27 -2.66 1 1 0.62 -0.47 No
379 379 8.0 TMD8 ICI-D7288
HCN [I(h)] Blockers
Ibrutinib
Unknown
68.9 10 -49.68 -49.68 -2.25 0.99 0.99 0.27 -0.77 No
380 380 8.0 TMD8 GSK-1016790A
TRPV4 Agonist
Ibrutinib
Unknown
69.62 12 -14.18 -14.18 -5.68 1.01 1.01 0.86 -1.01 No
381 381 8.0 TMD8 Fenobam
mgluR5 Antagonists
Ibrutinib
Unknown
59.31 17 -119.95 -119.95 -10.03 1 0.96 1.07 -1.12 No
382 382 8.0 TMD8 MPEP
mgluR5 Antagonists
Ibrutinib
Unknown
54.86 9 60.82 60.82 -2.84 1.02 1.02 1 -0.27 No
383 383 8.0 TMD8 Piboserod hydrochloride
5-HT4 Antagonists
Ibrutinib
Unknown
63.58 10 -29.94 -29.94 -6.03 0.98 0.98 0.39 -0.69 No
384 384 8.0 TMD8 SB-224289
5-HT1B Agonist
Ibrutinib
Unknown
67.58 17 -289.48 -289.48 -15.72 0.91 0.9 0.06 -2.75 No
385 385 8.0 TMD8 SB-206553
5-HT1A Receptor Partial Agonist
Ibrutinib
Unknown
60.83 9 18.76 18.76 -4.58 1.01 1 0.66 -0.44 No
386 386 8.0 TMD8 Meclinertant
Carboxypeptidase A Inhibitor
Ibrutinib
Unknown
71.69 15 -117.75 -117.75 -10.5 0.98 0.97 0.2 -1.26 No
387 387 8.0 TMD8 Zibotentan
Endothelin ETA Receptor Antagonist
Ibrutinib
Unknown
60.61 9 8.13 8.13 -2.38 1.01 1.01 0.59 -0.51 No
388 388 8.0 TMD8 GW-4064X
Farnesoid X Receptor Agonist
Ibrutinib
Unknown
48.36 7 17.5 17.5 0 1 1 0.42 -0.24 No
389 389 8.0 TMD8 Turofexorate isopropyl
Farnesoid X Receptor Agonist
Ibrutinib
Unknown
48.06 6 -47.83 -47.83 -1.33 0.96 0.96 0.71 -1.19 No
390 390 8.0 TMD8 GW-9508
Free Fatty Acid Receptor 1 Agonist
Ibrutinib
Unknown
77.44 8 33.28 33.28 -2.33 1.01 1.01 0.66 -0.32 No
391 391 8.0 TMD8 AG-041R
gastrin/CCKB receptor antagonist
Ibrutinib
Unknown
71.42 16 -161.46 -161.46 -15.79 0.96 0.96 0.13 -1.75 No
392 392 8.0 TMD8 MK-0354
Nicotinic Acid Receptor Partial Agonist
Ibrutinib
Unknown
45.4 9 28.58 28.58 -0.92 1 1 0.78 -0.49 No
393 393 8.0 TMD8 PB-28
sigma1/2 Receptor Agonist
Ibrutinib
Unknown
61.7 16 -117.46 -117.46 -5.23 0.96 0.96 0.06 -1.24 No
394 394 8.0 TMD8 Cutamesine hydrochloride
sigma1 Receptor Agonist
Ibrutinib
Unknown
66.82 11 -31.03 -31.03 -2.24 0.99 0.99 0.42 -0.73 No
395 395 8.0 TMD8 BD-1047
sigma Receptor Antagonist
Ibrutinib
Unknown
49.06 11 -46.83 -46.83 -5.13 0.98 0.98 0.35 -0.82 No
396 396 8.0 TMD8 SCH-79797
PAR1 Antagonist
Ibrutinib
Unknown
75.76 17 -222.66 -222.66 -22.27 0.96 0.94 0.19 -1.84 No
397 397 8.0 TMD8 Vorapaxar
PAR1 Antagonist
Ibrutinib
Unknown
59.79 12 -32.01 -32.01 -1.39 1 0.99 0.27 -0.54 No
398 398 8.0 TMD8 GB 83
PAR2 Antagonist
Ibrutinib
Unknown
71.04 11 -47.2 -47.2 -6.01 0.99 0.99 0.32 -0.79 No
399 399 8.0 TMD8 Aprepitant
Tachykinin NK1 Antagonist
Ibrutinib
Unknown
60.96 13 -96.28 -96.28 -4.83 0.97 0.97 0.05 -1.01 No
400 400 8.0 TMD8 GR-159897
Tachykinin NK2 Antagonist
Ibrutinib
Unknown
69.47 11 -26.08 -26.08 -4.59 1 1 0.16 -0.42 No
401 401 8.0 TMD8 Osanetant
Tachykinin NK3 Antagonist
Ibrutinib
Unknown
75.14 13 -39.63 -39.63 -10.59 1 1 1.06 -1.46 No
402 402 8.0 TMD8 Rolofylline
Adenosine A1 Antagonist
Ibrutinib
Unknown
67.72 7 14.88 14.88 0.42 1 1 0.7 -0.55 No
403 403 8.0 TMD8 Maraviroc
CCR5 Antagonist
Ibrutinib
Unknown
44.44 4 75.49 75.49 0 1.01 1.01 1.03 -0.27 No
404 404 8.0 TMD8 LY-320135
Cannabinoid CB1 Antagonist
Ibrutinib
Unknown
57.72 11 -35.49 -35.49 -3.54 0.99 0.99 0.24 -0.6 No
405 405 8.0 TMD8 ACPA
cannabinoid CB1 antagonist
Ibrutinib
Unknown
36.48 4 83.19 83.19 0 1.01 1.01 0.96 -0.13 No
406 406 8.0 TMD8 MK-886
5-lipoxygenase-activating (FLAP) inhibitor
Ibrutinib
Unknown
58.43 8 -3.94 -3.94 -3.44 1 1 0.52 -0.56 No
407 407 8.0 TMD8 Veliflapon
5-lipoxygenase-activating (FLAP) inhibitor
Ibrutinib
Unknown
61.63 9 -70.48 -70.48 -1.22 0.97 0.97 0.22 -0.92 No
408 408 8.0 TMD8 Licofelone
5-Lipoxygenase Inhibitor
Ibrutinib
Unknown
62.56 4 65.33 65.33 0 1.01 1.01 0.71 -0.05 No
409 409 8.0 TMD8 Zileuton
5-Lipoxygenase Inhibitor
Ibrutinib
Unknown
67.79 11 -86.32 -86.32 -3.21 0.96 0.96 0.71 -1.58 No
410 410 8.0 TMD8 NCGC00185053
15-Lipoxygenase Inhibitor
Ibrutinib
Unknown
56.56 14 -76.48 -76.48 -6.31 0.98 0.98 0.08 -0.84 No
411 411 8.0 TMD8 Celecoxib
Cyclooxygenase-2 Inhibitor
Ibrutinib
Unknown
63.81 16 -85.94 -85.94 -10 0.98 0.98 0.24 -1.1 No
412 412 8.0 TMD8 Pravadoline
COX inhibitor and?cannabinoid (CB)?agonist
Ibrutinib
Unknown
66.54 7 15.93 15.93 0 1 1 0.38 -0.22 No
413 413 8.0 TMD8 PF-3845
Fatty Acid Amide Hydrolase (FAAH) Inhibitor
Ibrutinib
Unknown
66.9 3 134.1 134.1 2.79 1.04 1.04 1.39 -0.04 No
414 414 8.0 TMD8 Fluvastatin
HMG-CoA Reductase Inhibitors
Ibrutinib
Unknown
45.56 5 49.81 49.81 -0.62 1.01 1.01 0.56 -0.06 No
415 415 8.0 TMD8 Simvastatin
HMG-CoA Reductase Inhibitor
Ibrutinib
Unknown
57.49 5 95.68 95.68 0.55 1.02 1.02 1.08 -0.12 No
416 416 8.0 TMD8 Dalcetrapib
Cholesteryl Ester Transfer Protein (CETP) Inhibitor
Ibrutinib
Unknown
51.26 17 -75.07 -75.07 -10.81 0.99 0.97 1.01 -1.1 No
417 417 5.0 TMD8 JK 184
Alcohol dehydrogenase 7 inhibitor
Ibrutinib
Unknown
62.6 22 -279.08 -279.08 -20.88 0.94 0.9 0.03 -1.61 No
418 418 8.0 TMD8 NCGC00037850
HPGD Inhibitor
Ibrutinib
Unknown
63.54 5 73.84 73.84 0 1.01 1.01 1.07 -0.33 No
419 419 8.0 TMD8 CAY10581
Indoleamine 2,3-dioxygenase (IDO) inhibitor
Ibrutinib
Unknown
74.36 14 -146.67 -146.67 -12.43 0.98 0.97 0.23 -1.28 No
420 420 8.0 TMD8 EBPC
Aldose Reductase Inhibitor
Ibrutinib
Unknown
45.78 6 75.49 75.49 -0.99 1.01 1.01 0.99 -0.23 No
421 421 8.0 TMD8 Piraxostat
Xanthine Oxidase Inhibitor
Ibrutinib
Unknown
71.19 18 -135.48 -135.48 -10.83 0.95 0.95 0.22 -1.37 No
422 422 8.0 TMD8 JZL-184
Monoacylglycerol lipase (MAGL) inhibitor
Ibrutinib
Unknown
74.5 9 67.53 67.53 -0.41 1.05 1.04 1.28 -0.29 No
423 423 8.0 TMD8 GW 4869
Neutral Sphingomyelinase (N-SMase) Inhibitor
Ibrutinib
Unknown
20.66 6 85.11 85.11 0 1.02 1.02 1.04 -0.19 No
424 424 8.0 TMD8 Ezatiostat
Glutathione-s-transferase P1 (GSTP1) Inhibitor
Ibrutinib
Unknown
72.07 9 -14.96 -14.96 -0.61 1 1 0.67 -0.82 No
425 425 8.0 TMD8 Vapiprost hydrochloride
Prostanoid TP Antagonist
Ibrutinib
Unknown
67.3 12 18.84 18.84 -1 1.01 1.01 0.62 -0.43 No
426 426 8.0 TMD8 Ezetimibe
NPC1L1 Inhibitor
Ibrutinib
Unknown
72.69 13 -22.1 -22.1 -6.89 1.02 1 0.78 -0.59 No
427 427 8.0 TMD8 GSK-1995010
FAS inhibitor
Ibrutinib
Unknown
42.09 9 -12.26 -12.26 -0.95 0.99 0.98 0.8 -0.65 No
428 428 8.0 TMD8 FASN BI
Fatty acid synthase inhibitor
Ibrutinib
Unknown
47.51 12 -39.37 -39.37 -10.53 0.99 0.99 0.71 -1 No
429 429 8.0 TMD8 GSK837149A
Fatty acid synthase inhibitor
Ibrutinib
Unknown
65.95 15 -78.68 -78.68 -4.39 0.97 0.97 0.23 -1.01 No
430 430 8.0 TMD8 FASN MRK
Fatty acid synthase inhibitor
Ibrutinib
Unknown
66.44 13 -85.64 -85.64 -6.73 0.97 0.97 0.29 -1.06 No
431 431 5.0 TMD8 Daporinad
NMPRTase Inhibitor
Ibrutinib
Unknown
18.61 11 17.91 17.91 -3.17 1.05 1.01 1.93 -0 No
432 432 8.0 TMD8 cPEPCK inhibitor
cPEPCK inhibitor
Ibrutinib
Unknown
48.6 13 -23.89 -23.89 -2.2 0.97 0.97 0.85 -1.09 No
433 433 8.0 TMD8 GLS968
Glutaminase inhibitor
Ibrutinib
Unknown
51.92 10 17.93 17.93 -1.95 1.01 1.01 0.42 -0.24 No
434 434 8.0 TMD8 IPFK2
Inducible phosphofructokinase-2 inhibitor
Ibrutinib
Unknown
69.44 21 -319.25 -319.25 -27.34 0.93 0.91 0 -2.54 No
435 435 8.0 TMD8 NCGC00186528
PKM2 activator
Ibrutinib
Unknown
75.55 15 -89.02 -89.02 -8.45 0.98 0.98 0.23 -1.12 No
436 436 8.0 TMD8 NCGC00185916
PKM2 activator
Ibrutinib
Unknown
64.15 23 -231.03 -231.03 -15.88 0.93 0.92 0.1 -2.04 No
437 437 8.0 TMD8 AZD-7545
Pyruvate Dehydrogenase Kinase 2 Inhibitor
Ibrutinib
Unknown
20.46 10 21.86 21.86 -1.64 1 1 0.63 -0.41 No
438 438 8.0 TMD8 PDHK RIKEN
Pyruvate dehydrogenase kinases inhibitor
Ibrutinib
Unknown
68.42 10 32.76 32.76 -2.9 1.04 1.03 0.91 -0.54 No
439 439 8.0 TMD8 NCGC00262689
Isocitrate dehydrogenase inhibitor
Ibrutinib
Unknown
69.25 9 -10.07 -10.07 -1.75 1 1 0.48 -0.55 No
440 440 8.0 TMD8 IDH-001
Isocitrate dehydrogenase inhibitor
Ibrutinib
Unknown
55.58 11 -33.72 -33.72 -3.18 0.99 0.99 0.37 -0.66 No
441 441 8.0 TMD8 AR-C155858
MCT1 inhibitor
Ibrutinib
Unknown
60.03 24 -364.97 -364.97 -23.31 0.93 0.86 0.07 -1.67 No
442 442 8.0 TMD8 CAP-232
Somatostatin srif2B (sst4) Agonist
Ibrutinib
Unknown
66.33 9 -0.08 -0.08 -0.02 1 1 0.49 -0.49 No
443 443 8.0 TMD8 NCGC00238624
GALK inhibitor
Ibrutinib
Unknown
67.18 13 -25.97 -25.97 -1.43 1 1 0.18 -0.44 No
444 444 8.0 TMD8 ACC1 BMS
Acetyl-CoA carboxylase inhibitor
Ibrutinib
Unknown
67.46 16 -85.25 -85.25 -6.28 0.97 0.97 0.11 -0.96 No
445 445 8.0 TMD8 Ibutamoren mesilate
Growth Hormone Secretagogue
Ibrutinib
Unknown
67.07 17 392.02 -9,086.08 -5.52 0.99 0.99 4.75 -0.83 No
446 446 8.0 TMD8 ML 141
Cdc42 GTPase inhibitor
Ibrutinib
Unknown
62.9 19 -236.12 -236.12 -13.27 0.92 0.92 0.19 -2.32 No
447 447 8.0 TMD8 QS11
ADP-ribosylation factor GTPase activating protein 1 inhibitor
Ibrutinib
Unknown
49.36 4 187.27 187.27 0.54 1.06 1.05 2.5 -0.14 No
448 448 8.0 TMD8 Gavestinel sodium
NMDA Glycine-Site Antagonist
Ibrutinib
Unknown
69.33 7 2.57 2.57 0 1 1 0.37 -0.28 No
449 449 8.0 TMD8 Eliprodil
NMDA Antagonist
Ibrutinib
Unknown
71.28 14 -47.4 -47.4 -4.9 1 0.99 0.36 -0.7 No
450 450 8.0 TMD8 Caroverine hydrochloride
AMPA Antagonist
Ibrutinib
Unknown
64.52 17 -93.66 -93.66 -4.99 0.97 0.97 0.09 -1.02 No
451 451 8.0 TMD8 GYKI-53655
AMPA receptor antagonist
Ibrutinib
Unknown
67.61 21 -264.57 17.28 -20.62 0.96 0.93 0.18 -1.71 No
452 452 8.0 TMD8 Dapagliflozin
SGLT-2 inhibitor
Ibrutinib
Unknown
57.85 13 -12.22 -12.22 -1.9 0.99 0.99 0.28 -0.4 No
453 453 8.0 TMD8 GSK-4112
Rev-erb alpha agonist
Ibrutinib
Unknown
47.51 4 137.27 137.27 5.17 1.04 1.04 1.7 -0.15 No
454 454 5.0 TMD8 Sepantronium bromide
Survivin inhibitor
Ibrutinib
Unknown
54.58 10 -10.2 -10.2 0 1 1 0 -0.06 No
455 455 8.0 TMD8 BIBR 1532
Telomerase Inhibitor
Ibrutinib
Unknown
45.72 13 -52.36 -52.36 -5.28 0.97 0.97 0.42 -0.94 No
456 456 8.0 TMD8 ITX3
Triple Functional Domain Protein (TRIO) Inhibitor
Ibrutinib
Unknown
61.2 16 -95.86 -95.86 -10.95 0.97 0.97 0.2 -1.16 No
457 457 5.0 TMD8 Salinomycin
Anticoccidial/Antibacterial
Ibrutinib
Unknown
74.19 19 -295.48 -295.48 -21.37 0.99 0.9 0.61 -1.66 No
458 458 8.0 TMD8 Efavirenz
Reverse Transcriptase Inhibitor
Ibrutinib
Unknown
57.11 7 75.58 75.58 -0.62 1.03 1.02 1.25 -0.23 No
459 459 8.0 TMD8 Ivachtin
Caspase 3 inhibitor
Ibrutinib
Unknown
51.19 5 62.24 62.24 1.34 1.02 1.02 1.05 -0.19 No
460 460 8.0 TMD8 PAC-1
Procaspase 3 Activator
Ibrutinib
Unknown
63.61 18 -76.83 -76.83 -7.03 0.99 0.99 0.28 -0.99 No
461 461 8.0 TMD8 Necrostatin-1
RIP Kinase inhibitor
Ibrutinib
Unknown
66.45 19 -171.06 -171.06 -5.72 0.96 0.95 0.21 -1.58 No
462 462 8.0 TMD8 NCGC00262398
USP2 inhibitor
Ibrutinib
Unknown
57.02 8 40.29 40.29 -0.28 1.02 1.01 1.04 -0.35 No
463 463 8.0 TMD8 Tiplasinin
Plasminogen Activator Inhibitor (PAI-1) Inhibitor
Ibrutinib
Unknown
56.74 10 9.37 9.37 -2.59 1.01 1.01 0.54 -0.44 No
464 464 5.0 TMD8 ASR-isobudimer-SO2Ph-4-CH2OC(O)NMe2
artemesinin analogue
Ibrutinib
Unknown
52.68 19 -62.46 -62.46 -4.85 1 0.99 0.19 -0.39 No
465 465 5.0 TMD8 BTM-2C-dimer ketone
artemesinin analogue
Ibrutinib
Unknown
66.62 15 -232.88 -232.88 -21.15 0.93 0.91 0.51 -1.99 No
466 466 5.0 TMD8 BTM-2C-dimer allyl oxime
artemesinin analogue
Ibrutinib
Unknown
62.68 19 -85.52 -85.52 -4.9 1 0.97 0.17 -0.38 No