Serial ComboID mQC Cell Line X-axis Y-axis Median Excess Excess HSA Beta Gamma DBSumPos DBSumNeg Self Cross Response Matrix
1 1 good [0.92] TMD8 NCGC00187912
Unknown
Bendamustine
DNA Alkylating Drugs
63.08 18.82 1.01 1.01 0.63 -0.45 No
2 2 good [0.94] TMD8 NCGC00187912
Unknown
Lonidamine
Phosphotransferase (HK) (Trypanosoma brucei) Inhibitor
48.85 76.97 1.01 1.01 0.92 -0.15 No
3 3 good [0.96] TMD8 NCGC00187912
Unknown
Lenalidomide
TNF-alpha Production Inhibitor
83.47 -259.14 0.93 0.93 0.12 -2.71 No
4 4 good [0.83] TMD8 NCGC00187912
Unknown
Cladribine
Adenosine Deaminase Inhibitor
70.38 -47.49 0.99 0.99 0.5 -0.97 No
5 5 good [0.97] TMD8 NCGC00187912
Unknown
Pentostatin
Adenosine Deaminase Inhibitor
42.01 101.28 1.03 1.02 1.31 -0.27 No
6 6 good [0.99] TMD8 NCGC00187912
Unknown
6-Mercaptopurine monohydrate
Unknown
60.01 -38.71 0.99 0.98 0.66 -0.79 No
7 7 good [0.94] TMD8 NCGC00187912
Unknown
Everolimus
mTOR Inhibitor
62.91 -420.59 0.93 0.82 0.07 -1.56 No
8 8 good [0.97] TMD8 NCGC00187912
Unknown
Aminoglutethimide
Aromatase Inhibitor
71.02 -61.08 0.98 0.98 0.5 -1.03 No
9 9 good [0.97] TMD8 NCGC00187912
Unknown
4-Hydroxyandrostenedione
Aromatase Inhibitor
60.75 3.48 0.99 0.99 0.65 -0.62 No
10 10 good [1.00] TMD8 NCGC00187912
Unknown
Letrozole
Aromatase Inhibitor
68.92 -6.71 1 1 0.38 -0.45 No
11 11 good [1.00] TMD8 NCGC00187912
Unknown
Pemetrexed disodium
thymidylate synthase Inhibitor
64.23 -120.4 1 0.97 0.45 -0.69 No
12 12 good [0.97] TMD8 NCGC00187912
Unknown
Gemcitabine
Ribonucleotide reductase Inhibitor
53.6 -289.3 0.96 0.89 0.43 -1.16 No
13 13 medium [0.75] TMD8 NCGC00187912
Unknown
Tamoxifen
Selective Estrogen Receptor Modulators (SERM)
72.15 -156.23 0.94 0.94 0.35 -1.91 No
14 14 medium [0.54] TMD8 NCGC00187912
Unknown
Vincristine sulfate
Tubulin polymerization inhibitor
52.61 -158.5 0.97 0.9 0.03 -0.53 No
15 15 good [0.95] TMD8 NCGC00187912
Unknown
Combretastatin A-4
Tubulin polymerization Inhibitor
41.71 -10.96 1 1 0.01 -0.05 No
16 16 good [1.00] TMD8 NCGC00187912
Unknown
Plinabulin
Tubulin polymerization Inhibitor
76.1 -257.79 0.86 0.83 0.07 -1.91 No
17 17 good [0.97] TMD8 NCGC00187912
Unknown
Docetaxel
Tubulin depolymerization inhibitor
66.94 -410.24 0.92 0.82 0.01 -1.75 No
18 18 good [1.00] TMD8 NCGC00187912
Unknown
Blebbistatin
myosin II ATPase inhibitor
59.5 -114.71 0.96 0.96 0.05 -1.19 No
19 19 good [0.96] TMD8 NCGC00187912
Unknown
Ispinesib
Kinesin-Like Spindle Protein Inhibitor
71.56 -504.88 0.9 0.76 0 -2.27 No
20 20 good [0.75] TMD8 NCGC00187912
Unknown
Doxorubicin
DNA Topoisomerase II Inhibitor
72.78 -217.49 0.95 0.9 0.05 -1.38 No
21 21 good [0.97] TMD8 NCGC00187912
Unknown
Topotecan hydrochloride
DNA Topoisomerase I Inhibitor
79.12 -282.9 0.9 0.85 0.05 -1.94 No
22 22 good [0.97] TMD8 NCGC00187912
Unknown
Cyclophosphamide
Bcl-2 Expression Inhibitor
68.99 -51.55 0.99 0.99 0.12 -0.63 No
23 23 bad [0.89] TMD8 NCGC00187912
Unknown
5-Azacitidine
DNA Methyltransferase (DNMT) Inhibitor
73.89 -204.44 0.95 0.94 0.15 -2.1 No
24 24 good [0.97] TMD8 NCGC00187912
Unknown
Actinomycin D
DNA-Directed RNA Polymerase Inhibitor
37.11 -3.16 1 1 0 -0.02 No
25 25 good [0.97] TMD8 NCGC00187912
Unknown
Mithramycin
Alcohol Dehydrogenase Inhibitor
65.55 -169.15 0.93 0.92 0.07 -1.36 No
26 26 good [0.65] TMD8 NCGC00187912
Unknown
Itraconazole
cytochrome inhibitor
59.73 -143.52 0.95 0.95 0.08 -1.52 No
27 27 good [0.97] TMD8 NCGC00187912
Unknown
Hydroxychloroquine sulfate
Autophagy Inhibitor
68.7 -32.49 0.99 0.99 0.44 -0.76 No
28 28 good [0.97] TMD8 NCGC00187912
Unknown
Mifepristone
Progesterone Receptor Antagonist
74.87 -115.98 0.98 0.98 0.43 -1.59 No
29 29 good [0.98] TMD8 NCGC00187912
Unknown
Metformin
AMPK Activator
77.19 -11.8 1 1 0.53 -0.65 No
30 30 good [0.97] TMD8 NCGC00187912
Unknown
Acadesine
AMPK Activator
76.07 15.58 1.03 1.03 0.97 -0.81 No
31 31 good [0.97] TMD8 NCGC00187912
Unknown
A-769662
AMPK Activator
61.73 -106.64 0.96 0.96 0.15 -1.22 No
32 32 good [0.97] TMD8 NCGC00187912
Unknown
Imatinib
Bcr-Abl Inhibitor
69.06 -45.07 0.99 0.99 0.33 -0.78 No
33 33 good [0.98] TMD8 NCGC00187912
Unknown
Nilotinib
Bcr-Abl Inhibitor
63.5 -197.67 0.93 0.93 0.24 -2.13 No
34 34 good [0.99] TMD8 NCGC00187912
Unknown
Ponatinib
FGFR Inhibitor
85.7 -361.78 0.89 0.88 0.17 -3.02 No
35 35 good [0.98] TMD8 NCGC00187912
Unknown
DCC-2036
Bcr-Abl Inhibitor
60.39 -200.45 0.96 0.93 0.22 -1.18 No
36 36 good [1.00] TMD8 NCGC00187912
Unknown
Dasatinib
Bcr-Abl Inhibitor
54.15 -113.15 0.99 0.93 0.19 -0.43 No
37 37 good [0.96] TMD8 NCGC00187912
Unknown
Bosutinib
Bcr-Abl Inhibitor
43.85 -53.9 0.97 0.96 0.81 -0.95 No
38 38 good [0.97] TMD8 NCGC00187912
Unknown
Saracatinib
cSRC Inhibitor
76.9 -244.58 0.94 0.93 0 -2.22 No
39 39 good [0.96] TMD8 NCGC00187912
Unknown
PD-166285
cSRC Inhibitor
71.95 -256.65 0.89 0.89 0.04 -2.31 No
40 40 good [0.98] TMD8 NCGC00187912
Unknown
Vandetanib
EGFR Inhibitor
83.27 62.6 1.03 1.03 0.91 -0.28 No
41 41 good [0.98] TMD8 NCGC00187912
Unknown
Erlotinib
EGFR Inhibitor
66.27 -151.5 0.95 0.95 0.08 -1.6 No
42 42 good [0.97] TMD8 NCGC00187912
Unknown
Gefitinib
EGFR Inhibitor
73.94 -98.07 0.98 0.98 0.05 -1.03 No
43 43 good [1.00] TMD8 NCGC00187912
Unknown
Lapatinib
EGFR Inhibitor
73.45 -156.98 0.95 0.95 0.12 -1.69 No
44 44 good [0.90] TMD8 NCGC00187912
Unknown
Neratinib
EGFR Inhibitor
53.75 -82.89 0.98 0.97 0.54 -0.66 No
45 45 good [0.99] TMD8 NCGC00187912
Unknown
Canertinib
EGFR Inhibitor
51.79 513.44 1.14 1.13 5.81 -0.1 No
46 46 good [0.97] TMD8 NCGC00187912
Unknown
AV-412
EGFR Inhibitor
81.91 144.39 1.05 1.05 1.88 -0.32 No
47 47 good [0.97] TMD8 NCGC00187912
Unknown
Dacomitinib
EGFR Inhibitor
73.66 -15.3 1 1 0.56 -0.72 No
48 48 good [0.99] TMD8 NCGC00187912
Unknown
CP-724714
HER2 Inhibitor
70.05 -145.63 0.96 0.96 0 -1.46 No
49 49 good [0.98] TMD8 NCGC00187912
Unknown
Afatinib
EGFR Inhibitor
76.57 -20.6 1 1 0.34 -0.44 No
50 50 good [0.95] TMD8 NCGC00187912
Unknown
AEE-788
EGFR Inhibitor
69.53 39.02 1 1 0.95 -0.56 No
51 51 good [0.99] TMD8 NCGC00187912
Unknown
CUDC-101
EGFR Inhibitor
85.26 -253.94 0.91 0.89 0.07 -2 No
52 52 good [0.98] TMD8 NCGC00187912
Unknown
Pelitinib
EGFR Inhibitor
70.41 -62.94 1.01 0.99 0.82 -0.92 No
53 53 good [0.96] TMD8 NCGC00187912
Unknown
WZ-4002
EGFR Inhibitor
81.82 102.05 1.04 1.03 1.97 -0.58 No
54 54 good [0.93] TMD8 NCGC00187912
Unknown
Linifanib
VEGFR-2 Inhibitor
76.73 36.78 1.01 1.01 0.61 -0.25 No
55 55 good [0.97] TMD8 NCGC00187912
Unknown
Axitinib
VEGFR-1/2/3 Inhibitor
76.72 129.13 1.03 1.03 1.46 -0.17 No
56 56 good [0.97] TMD8 NCGC00187912
Unknown
Sorafenib
VEGFR-1/2/3 Inhibitor
65.83 -62.79 0.98 0.98 0.15 -0.77 No
57 57 good [0.95] TMD8 NCGC00187912
Unknown
Vatalanib
VEGFR-2 Inhibitor
74.66 71.35 1.02 1.02 0.78 -0.07 No
58 58 good [0.97] TMD8 NCGC00187912
Unknown
Motesanib
VEGFR-1,2,3 Inhibitor
49.53 -7.89 0.99 0.99 0.29 -0.37 No
59 59 good [0.99] TMD8 NCGC00187912
Unknown
Tivozanib
VEGFR-1/2/3 Inhibitor
52.52 9.01 0.98 0.98 0.97 -0.82 No
60 60 good [0.97] TMD8 NCGC00187912
Unknown
Nintedanib
VEGFR-1/2/3 Inhibitor
83.37 -350.95 0.89 0.87 0.01 -2.89 No
61 61 good [0.97] TMD8 NCGC00187912
Unknown
Brivanib
VEGFR-2,3/FGFR1,2,3 Inhibitor
64.96 -65.45 0.97 0.97 0.38 -1.03 No
62 62 good [0.97] TMD8 NCGC00187912
Unknown
Telatinib
VEGFR-2,3 Inhibitor
57.8 14.13 1 1 0.44 -0.3 No
63 63 good [0.97] TMD8 NCGC00187912
Unknown
Cabozantinib
VEGFR-2 Inhibitor
58.17 -32.18 0.99 0.98 0.48 -0.71 No
64 64 good [0.95] TMD8 NCGC00187912
Unknown
Cediranib
VEGFR-1/2/3 Inhibitor
64.01 -115.21 0.97 0.97 0 -1.15 No
65 65 good [0.98] TMD8 NCGC00187912
Unknown
BMS-794833
VEGFR-2 Inhibitor
74.17 157.49 1.04 1.04 1.66 -0.08 No
66 66 good [0.97] TMD8 NCGC00187912
Unknown
Lenvatinib
VEGFR-1/2/3 Inhibitor
76.33 -264.34 0.93 0.92 0.18 -2.58 No
67 67 good [0.97] TMD8 NCGC00187912
Unknown
OSI-632
VEGFR-2 Inhibitor
34.84 59.76 1.01 1.01 0.86 -0.26 No
68 68 good [0.93] TMD8 NCGC00187912
Unknown
Foretinib
VEGFR-2 Inhibitor
67.55 -224.05 0.94 0.93 0.08 -1.95 No
69 69 good [0.98] TMD8 NCGC00187912
Unknown
Regorafenib
VEGFR-2 Inhibitor
55.04 -44.32 0.99 0.99 0.13 -0.57 No
70 70 good [0.94] TMD8 NCGC00187912
Unknown
Dovitinib
FGFR Inhibitor
86.14 -9.65 0.99 0.99 0.9 -0.99 No
71 71 good [0.96] TMD8 NCGC00187912
Unknown
Masitinib
FGFR 3 Inhibitor
83.89 -250.15 0.91 0.91 0.01 -2.51 No
72 72 good [0.98] TMD8 NCGC00187912
Unknown
PD-173074
FGFR 1/3 Inhibitor
72.88 26.24 1 1 0.71 -0.44 No
73 73 good [0.83] TMD8 NCGC00187912
Unknown
SG-00529
mTORC1/2 Inhibitor
59.54 -135.19 0.95 0.95 0.15 -1.5 No
74 74 good [0.92] TMD8 NCGC00187912
Unknown
Amuvatinib
PDGFR alpha Inhibitor
76.25 -9.34 1 1 0.4 -0.49 No
75 75 good [0.96] TMD8 NCGC00187912
Unknown
OSI-930
PDGFR beta Inhibitor
90.5 -57.67 0.99 0.99 0.68 -1.25 No
76 76 good [0.96] TMD8 NCGC00187912
Unknown
Crizotinib
HGFR Inhibitor
84.86 -87.47 0.97 0.96 0.73 -1.52 No
77 77 good [0.98] TMD8 NCGC00187912
Unknown
PHA-665752
HGFR (MET; c-Met) Inhibitor
62.14 -51.77 0.97 0.97 0.3 -0.81 No
78 78 good [0.96] TMD8 NCGC00187912
Unknown
BMS-777607
HGFR Inhibitor
72.2 -97.39 0.96 0.96 0.28 -1.26 No
79 79 good [0.97] TMD8 NCGC00187912
Unknown
PF-04217903
HGFR Inhibitor
78.58 3.32 1 1 0.54 -0.5 No
80 80 good [0.98] TMD8 NCGC00187912
Unknown
JNJ-38877605
HGFR Inhibitor
57.16 69.26 1.03 1.03 0.93 -0.24 No
81 81 good [1.00] TMD8 NCGC00187912
Unknown
SGX-523
HGFR Inhibitor
76.62 -212.95 0.94 0.94 0.03 -2.16 No
82 82 good [0.98] TMD8 NCGC00187912
Unknown
AMG-51
HGFR Inhibitor
58.92 -1.38 1.03 1.02 0.82 -0.24 No
83 83 good [0.97] TMD8 NCGC00187912
Unknown
Podofilox
Antimitotic Agent
62.81 -99.57 0.98 0.93 0.02 -0.41 No
84 84 good [0.97] TMD8 NCGC00187912
Unknown
Linsitinib
IGF-1R Inhibitor
70.88 -116.23 0.96 0.96 0.15 -1.31 No
85 85 good [0.96] TMD8 NCGC00187912
Unknown
GSK-1904529A
IGF-1R Inhibitor
23.63 145.31 1.03 1.03 1.53 -0.08 No
86 86 good [0.94] TMD8 NCGC00187912
Unknown
Dorsomorphin
TGF-bR1 (ALK5) Inhibitor
76.92 11.49 0.96 0.96 2.5 -1.97 No
87 87 good [0.98] TMD8 NCGC00187912
Unknown
LY2157299
TGF-bR1 (ALK5) and TGFbR2 inhibitor
58.06 -5.87 0.99 0.99 0.55 -0.61 No
88 88 good [0.97] TMD8 NCGC00187912
Unknown
LY-2109761
TGF-bR1 (ALK5) Inhibitor
76.11 -100.67 0.97 0.97 0.18 -1.19 No
89 89 good [0.97] TMD8 NCGC00187912
Unknown
A-83-01
TGF-bR1 (ALK5) Inhibitor
65.76 -23.36 0.99 0.99 0.2 -0.44 No
90 90 good [0.98] TMD8 NCGC00187912
Unknown
SJN-2511
TGF-bR1 (ALK5) Inhibitor
19.78 30.03 0.99 0.99 0.76 -0.46 No
91 91 good [0.96] TMD8 NCGC00187912
Unknown
SD-208
TGF-bR1 (ALK5) Inhibitor
76.94 -244.99 0.92 0.92 0.11 -2.56 No
92 92 good [0.98] TMD8 NCGC00187912
Unknown
TAE-684
ALK Inhibitor
72.4 -68.98 0.97 0.97 0.63 -1.24 No
93 93 good [0.90] TMD8 NCGC00187912
Unknown
SB-525334
TGF-bR1 (ALK5) Inhibitor
75.87 23.51 1 1 0.55 -0.31 No
94 94 good [0.97] TMD8 NCGC00187912
Unknown
SB-431542
TGF-bR1 (ALK5) Inhibitor
71.62 90.69 1.03 1.03 1.1 -0.19 No
95 95 good [0.98] TMD8 NCGC00187912
Unknown
Tandutinib
KIT Inhibitor
58.81 64.6 1.03 1.03 0.9 -0.26 No
96 96 good [0.98] TMD8 NCGC00187912
Unknown
Quizartinib
Flt3 Inhibitor
66.29 -58.02 0.99 0.98 0.31 -0.65 No
97 97 good [0.98] TMD8 NCGC00187912
Unknown
AZ-23
Trk Inhibitor
68.37 -114.5 0.97 0.97 0.16 -1.3 No
98 98 good [0.99] TMD8 NCGC00187912
Unknown
LDN-193189
ALK2 Inhibitor
45.51 10.32 0.99 0.98 1 -0.69 No
99 99 good [0.97] TMD8 NCGC00187912
Unknown
PRT-060318
Syk Kinase Inhibitor
58.09 -172.15 0.95 0.93 0.31 -1.35 No
100 100 good [0.79] TMD8 NCGC00187912
Unknown
R-406
Syk Kinase Inhibitor
60.97 -9.06 1.01 1 0.94 -0.68 No
101 101 good [0.97] TMD8 NCGC00187912
Unknown
Perifosine
PI3K kinase activator
70.53 -192.15 0.99 0.96 0.27 -1.76 No
102 102 good [0.75] TMD8 NCGC00187912
Unknown
Pictilisib
PI3K Inhibitor
56.81 -209.81 0.98 0.9 0.26 -0.6 No
103 103 good [0.98] TMD8 NCGC00187912
Unknown
GSK-2126458
PI3Kalpha/beta/delta/gamma Inhibitor
43.63 -63.4 1 0.99 0.16 -0.23 No
104 104 bad [0.40] TMD8 NCGC00187912
Unknown
IC-87114
PI3K Inhibitor
74.06 -386.74 0.92 0.86 0.07 -2.34 No
105 105 good [0.99] TMD8 NCGC00187912
Unknown
PIK-90
PI3K Inhibitor
51.55 -251.28 1.01 0.85 0.39 -0.6 No
106 106 good [0.99] TMD8 NCGC00187912
Unknown
BKM-120
PI3Kalpha Inhibitor
68.52 -165.02 0.97 0.95 0.42 -1.44 No
107 107 good [0.99] TMD8 NCGC00187912
Unknown
Idelalisib
PI3Kdelta Inhibitor
68.3 -420.64 0.92 0.81 0.04 -1.76 No
108 108 good [0.99] TMD8 NCGC00187912
Unknown
BAG-956
PI3K/PDK1 Inhibitor
64.58 -326.01 0.91 0.89 0.08 -2.19 No
109 109 good [1.00] TMD8 NCGC00187912
Unknown
AZD-6482
PI3Kb/d Inhibitor
73.02 -242 0.92 0.9 0.29 -1.9 No
110 110 good [0.96] TMD8 NCGC00187912
Unknown
CAY-10626
PI3Kalpha Inhibitor
58.97 -357.65 0.93 0.84 0.16 -1.25 No
111 111 good [1.00] TMD8 NCGC00187912
Unknown
PI-103
PI3Kalpha, beta, gamma Inhibitor
58.52 -263.52 0.94 0.87 0.13 -1.18 No
112 112 good [0.97] TMD8 NCGC00187912
Unknown
17_-hydroxy Wortmannin
PI3K Inhibitor
66 -407.34 0.9 0.81 0.1 -1.92 No
113 113 good [0.93] TMD8 NCGC00187912
Unknown
Deguelin
PI3K Inhibitor
77.95 -185.51 0.95 0.94 0.2 -1.79 No
114 114 good [0.99] TMD8 NCGC00187912
Unknown
MK-2206
AKT Inhibitor
86.39 -416.59 0.89 0.87 0.15 -3.63 No
115 115 good [0.98] TMD8 NCGC00187912
Unknown
A-674563
AKT Inhibitor
74.42 -51.25 1 1 0.37 -0.66 No
116 116 good [1.00] TMD8 NCGC00187912
Unknown
GSK-690693
AKT Inhibitor
68.07 -247.35 0.95 0.93 0.1 -1.96 No
117 117 good [0.99] TMD8 NCGC00187912
Unknown
BEZ-235
mTOR Inhibitor
54.77 -325.06 0.98 0.84 0.7 -0.79 No
118 118 good [0.95] TMD8 NCGC00187912
Unknown
PF-05212384
mTOR Inhibitor
55.84 -264.53 0.96 0.88 0.31 -0.77 No
119 119 good [1.00] TMD8 NCGC00187912
Unknown
GDC-0980
mTOR Inhibitor
60.33 -244.48 0.92 0.87 0.31 -1.3 No
120 120 good [0.95] TMD8 NCGC00187912
Unknown
Torin-1
mTOR Inhibitor
58.73 -319.75 0.93 0.86 0.38 -1.36 No
121 121 good [1.00] TMD8 NCGC00187912
Unknown
Torin-2
mTOR Inhibitor
74.02 -357.25 0.88 0.8 0.07 -1.98 No
122 122 good [0.99] TMD8 NCGC00187912
Unknown
AZD-8055
mTORC1/2 Inhibitor
46.09 -256.34 1.01 0.89 0.77 -0.35 No
123 123 good [1.00] TMD8 NCGC00187912
Unknown
OSI-027
mTORC1/2 Inhibitor
64.5 -346.36 0.93 0.88 0.13 -2.01 No
124 124 good [0.99] TMD8 NCGC00187912
Unknown
KU-0063794
mTORC1/2 Inhibitor
61.67 -235.12 0.94 0.91 0.22 -1.42 No
125 125 good [0.97] TMD8 NCGC00187912
Unknown
WYE-354
mTORC1/2 Inhibitor
69.16 -320.54 0.92 0.9 0.04 -2.39 No
126 126 good [0.99] TMD8 NCGC00187912
Unknown
Salirasib
mTOR Inhibitor
58.05 -76.57 0.97 0.97 0.31 -1.07 No
127 127 good [0.95] TMD8 NCGC00187912
Unknown
NU-7441
DNA-PK Inhibitor
72.89 -303.84 0.93 0.91 0.03 -2.49 No
128 128 good [0.91] TMD8 NCGC00187912
Unknown
KU-0060648
DNA-PK Inhibitor
70.47 -269.99 0.92 0.86 0.06 -1.47 No
129 129 good [0.97] TMD8 NCGC00187912
Unknown
NSC-23766
Rac1-GEF Inhibitor
59.97 -22.2 0.99 0.99 0.35 -0.58 No
130 130 good [0.97] TMD8 NCGC00187912
Unknown
NCGC00188866
Rac1 Inhibitor
71.41 -145.46 0.95 0.95 0.32 -1.78 No
131 131 good [0.93] TMD8 NCGC00187912
Unknown
VX-702
p38 MAPK Inhibitor
66.05 -205.8 0.94 0.93 0.1 -2.05 No
132 132 good [0.97] TMD8 NCGC00187912
Unknown
SB-203580
p38 MAPK Inhibitor
56.01 10.54 1.01 1.01 0.64 -0.53 No
133 133 good [0.97] TMD8 NCGC00187912
Unknown
VX-745
p38 MAPK Inhibitor
60.09 -106.87 0.97 0.97 0.15 -1.22 No
134 134 good [0.79] TMD8 NCGC00187912
Unknown
Doramapimod
p38 MAPK Inhibitor
68.63 -115.86 0.96 0.96 0.17 -1.33 No
135 135 good [0.98] TMD8 NCGC00187912
Unknown
PH-797804
p38 MAPK Inhibitor
58.52 -144.67 0.97 0.97 0.09 -1.52 No
136 136 good [0.95] TMD8 NCGC00187912
Unknown
RWJ-67657
p38 MAPK Inhibitor
76.24 -147.67 0.97 0.96 0.48 -1.57 No
137 137 good [0.97] TMD8 NCGC00187912
Unknown
Talmapimod
p38 MAPK Inhibitor
51.63 -113.63 0.95 0.95 0.36 -1.49 No
138 138 good [0.98] TMD8 NCGC00187912
Unknown
FMK
RSK Inhibitor
70.4 -166.2 0.95 0.95 0.01 -1.67 No
139 139 good [0.98] TMD8 NCGC00187912
Unknown
BI-D1870
RSK Inhibitor
72.11 -184.68 0.95 0.95 0.18 -1.97 No
140 140 good [0.97] TMD8 NCGC00187912
Unknown
NCGC00253463-01
Chk1/2 inhibitor
65.09 -191.79 0.96 0.88 0.07 -0.82 No
141 141 good [0.95] TMD8 NCGC00187912
Unknown
PHA-408
IKK-beta Inhibitor
64.75 -27.59 1 1 0.84 -0.99 No
142 142 good [0.98] TMD8 NCGC00187912
Unknown
Withaferin A
NF-kappaB Activation Inhibitor
77.25 -234.92 0.89 0.86 0 -1.76 No
143 143 good [0.98] TMD8 NCGC00187912
Unknown
BX-795
IKK-epsilon Inhibitor
79.62 -293.38 0.92 0.91 0.12 -2.82 No
144 144 bad [0.67] TMD8 NCGC00187912
Unknown
Bardoxolone methyl
NF-kappaB signaling Inhibitor
84.45 -321.35 0.92 0.89 0 -2.34 No
145 145 good [0.95] TMD8 NCGC00187912
Unknown
IKK-16
IKK beta Inhibitor
82.69 -190.54 0.96 0.93 0.4 -1.89 No
146 146 good [1.00] TMD8 NCGC00187912
Unknown
PF-184
IKK-2 (IKK-beta) Inhibitor
55.52 -62.73 0.99 0.98 0.6 -0.81 No
147 147 good [0.97] TMD8 NCGC00187912
Unknown
IMD-0354
IKK beta Inhibitor
42.35 -33.57 0.98 0.98 0.49 -0.75 No
148 148 good [0.97] TMD8 NCGC00187912
Unknown
PS-1145
IKK beta Inhibitor
63.04 -117.52 0.96 0.96 0.13 -1.28 No
149 149 good [1.00] TMD8 NCGC00187912
Unknown
MLN-120B
IKK beta Inhibitor
70.59 -55.61 0.98 0.98 0.29 -0.85 No
150 150 good [0.97] TMD8 NCGC00187912
Unknown
cycloheximide
GSK-3beta Inhibitor; tau Protein Kinase I Inhibitor
43.59 -162.37 0.99 0.94 0.55 -0.4 No
151 151 good [0.85] TMD8 NCGC00187912
Unknown
CT-99021
GSK-3 Inhibitor
67.2 -3.78 1.01 1.01 0.64 -0.66 No
152 152 good [0.96] TMD8 NCGC00187912
Unknown
SB-216763
GSK-3 Inhibitor
47.56 157.59 1.03 1.03 1.64 -0.07 No
153 153 good [0.97] TMD8 NCGC00187912
Unknown
SPC-839
IKK beta Inhibitor
73.44 -456.02 0.86 0.79 0 -2.84 No
154 154 good [0.97] TMD8 NCGC00187912
Unknown
WAY-204688
NF-kappaB Activation Inhibitor
65.6 -95.03 0.96 0.96 0.17 -1.12 No
155 155 good [0.98] TMD8 NCGC00187912
Unknown
Sulfasalazine
NFKB Activation Inhibitor
55.43 -37.38 0.99 0.99 0.17 -0.55 No
156 156 good [0.98] TMD8 NCGC00187912
Unknown
NCGC00263020
NFkappaB-inducing kinase Inhibitor
72.51 -207.09 0.95 0.94 0.11 -2.03 No
157 157 good [0.97] TMD8 NCGC00187912
Unknown
BX-795
IKK-epsilon Inhibitor
75.79 19.96 1.01 1 1.01 -0.61 No
158 158 good [0.97] TMD8 NCGC00187912
Unknown
KU-60019
ATM Kinase Inhibitor
62.54 -40.13 0.97 0.97 0.4 -0.8 No
159 159 good [0.97] TMD8 NCGC00187912
Unknown
KU-0064
ATM Kinase Inhibitor
59.6 -141.81 0.96 0.96 0.05 -1.46 No
160 160 good [0.95] TMD8 NCGC00187912
Unknown
CP-466722
ATM Kinase Inhibitor
65.88 -108.65 0.97 0.97 0.23 -1.31 No
161 161 good [0.97] TMD8 NCGC00187912
Unknown
SM-164
IAP Inhibitor
16.1 210.71 1.03 1.03 2.38 -0.23 No
162 162 good [0.97] TMD8 NCGC00187912
Unknown
TW-37
Bcl-xL Inhibitor/Mcl-1 Inhibitor
50.94 5.83 1.01 1 0.91 -0.3 No
163 163 good [0.99] TMD8 NCGC00187912
Unknown
(-)-Gossypol
Bcl-xl Inhibitor
65.73 -132.29 0.95 0.95 0.25 -1.49 No
164 164 good [1.00] TMD8 NCGC00187912
Unknown
Chelerythrine chloride
PKC Inhibitor
71.77 -169.48 0.97 0.96 0.19 -1.34 No
165 165 good [0.97] TMD8 NCGC00187912
Unknown
Obatoclax
Bcl-xL Inhibitor
39.65 -16.09 1 0.99 0.79 -0.34 No
166 166 good [0.96] TMD8 NCGC00187912
Unknown
Navitoclax (ABT-263)
Bcl-xL Inhibitor
91.13 -547.84 0.89 0.83 0.06 -4.29 No
167 167 good [0.97] TMD8 NCGC00187912
Unknown
Nutlin-3
HDM2/HDMX Inhibitor
69.05 -259.96 0.95 0.93 0.04 -2.15 No
168 168 good [0.99] TMD8 NCGC00187912
Unknown
Ac-SAH-p53-8
HDM2/HDMX Inhibitor
59.25 -23.12 1 1 0.27 -0.46 No
169 169 good [0.97] TMD8 NCGC00187912
Unknown
Serdemetan
MDM2 (hdm2) Inhibitor
68.68 -180.1 0.96 0.96 0.07 -1.41 No
170 170 good [0.96] TMD8 NCGC00187912
Unknown
HLI-373989
MDM2 (hdm2) Inhibitor
57.49 92.75 1.02 1.02 1.07 -0.15 No
171 171 good [0.91] TMD8 NCGC00187912
Unknown
SJ-172550
MDM4 (MDMX) Inhibitor
64.12 4.72 1.04 1.02 1.13 -0.5 No
172 172 good [0.99] TMD8 NCGC00187912
Unknown
AZD-7762
Chk1/2 Inhibitor
74.04 -275.28 0.91 0.82 0.07 -1.75 No
173 173 good [0.96] TMD8 NCGC00187912
Unknown
PF-477736
Chk1 Inhibitor
67.03 -329.08 0.91 0.89 0.14 -2.47 No
174 174 good [0.97] TMD8 NCGC00187912
Unknown
Flavopiridol
CDK1/2/4/6/7/9 Inhibitor
68.88 -200.94 0.93 0.91 0.13 -1.58 No
175 175 good [0.98] TMD8 NCGC00187912
Unknown
Purvalanol B
CDK1/2/3/4/5 Inhibitor
49.34 4.99 0.99 0.99 0.68 -0.58 No
176 176 good [0.97] TMD8 NCGC00187912
Unknown
Seliciclib
CDK Inhibitor
53.75 -75.54 0.98 0.98 0.24 -1 No
177 177 good [0.96] TMD8 NCGC00187912
Unknown
PHA-690509
CDK2 Inhibitor
80.7 -252.72 0.92 0.91 0.03 -2.05 No
178 178 good [0.97] TMD8 NCGC00187912
Unknown
AT-7519
CDK1/2/9 Inhibitor
69.52 -155.7 0.98 0.96 0.09 -1.09 No
179 179 good [0.97] TMD8 NCGC00187912
Unknown
AT-7519
CDK1/2/9 Inhibitor
65.16 -106.64 0.97 0.96 0.23 -0.93 No
180 180 good [0.99] TMD8 NCGC00187912
Unknown
SNS-032
CDK 2/7/9 Inhibitor
84.65 -75.37 1 0.98 0.33 -0.84 No
181 181 good [0.98] TMD8 NCGC00187912
Unknown
PHA-793887
CDK Inhibitor
75.68 -104.36 0.99 0.99 0.69 -1.41 No
182 182 good [0.99] TMD8 NCGC00187912
Unknown
Palbociclib
CDK4/6 Inhibitor
64.17 -240.01 0.91 0.91 0.34 -2.53 No
183 183 good [0.97] TMD8 NCGC00187912
Unknown
DA-3003-1
CDC25 Phosphatase Inhibitor
63.19 -48.29 0.99 0.99 0.27 -0.59 No
184 184 good [0.94] TMD8 NCGC00187912
Unknown
JNJ-7706621
Aurora Kinase Inhibitor
69.03 -32.29 1 0.99 0.79 -0.76 No
185 185 good [0.96] TMD8 NCGC00187912
Unknown
SNS-314
Aurora-A/B/C Kinase Inhibitor
88.55 -119.85 0.99 0.99 0.23 -1.43 No
186 186 good [0.82] TMD8 NCGC00187912
Unknown
Tozasertib
Aurora-A/B/C Kinase Inhibitor
84.95 -306.03 0.92 0.92 0 -3.06 No
187 187 good [0.91] TMD8 NCGC00187912
Unknown
Alisertib
Aurora-A Inhibitor
71.33 -168.78 0.97 0.95 0.34 -1.59 No
188 188 good [0.98] TMD8 NCGC00187912
Unknown
Danusertib
Aurora-A/B/C Kinase Inhibitor
84.45 -122.07 1 0.98 0.83 -1.44 No
189 189 good [0.97] TMD8 NCGC00187912
Unknown
CYC-116
Aurora-A/B/C Kinase Inhibitor
72.1 -85.71 1.01 0.99 0.8 -1 No
190 190 good [0.99] TMD8 NCGC00187912
Unknown
Barasertib
Aurora-B/C Inhibitor
74.53 -45.97 0.99 0.99 0.45 -0.91 No
191 191 good [0.98] TMD8 NCGC00187912
Unknown
AMG-900
Aurora-A/B/C Kinase Inhibitor
78.43 -78.7 1 0.99 0.86 -1.38 No
192 192 good [0.98] TMD8 NCGC00187912
Unknown
ENMD-981693
Aurora-A Inhibitor
73 -119.26 0.97 0.97 0.11 -1.3 No
193 193 good [0.97] TMD8 NCGC00187912
Unknown
CHIR-265
Raf kinase B/C Inhibitor
72.66 -136.77 0.96 0.96 0.16 -1.51 No
194 194 good [0.97] TMD8 NCGC00187912
Unknown
AZ-628
Raf kinase B/C Inhibitor
74.47 -198.75 0.95 0.94 0.21 -1.69 No
195 195 good [0.97] TMD8 NCGC00187912
Unknown
Vemurafenib
Raf kinase B Inhibitor
6.08 55.7 1.01 1.01 0.66 -0.1 No
196 196 good [0.97] TMD8 NCGC00187912
Unknown
PLX-4720
Raf kinase B Inhibitor
69.05 -74.66 0.97 0.97 0.17 -0.86 No
197 197 good [0.95] TMD8 NCGC00187912
Unknown
AR-00341677
Raf kinase B Inhibitor
73.07 112.11 1.04 1.04 1.31 -0.19 No
198 198 good [0.95] TMD8 NCGC00187912
Unknown
Refametinib
Mek 1/2 Inhibitor
67.25 -18.11 0.99 0.99 0.28 -0.46 No
199 199 good [0.98] TMD8 NCGC00187912
Unknown
Selumetinib
Mek1/2 inibitor
52.97 -119 0.96 0.96 0.35 -1.46 No
200 200 good [0.98] TMD8 NCGC00187912
Unknown
PD-0325901
MEK Inhibitor
71.74 -270.8 0.92 0.91 0.01 -2.7 No
201 201 good [0.97] TMD8 NCGC00187912
Unknown
Trametinib
Mek 1/2 Inhibitor
72.27 -295.09 0.91 0.9 0.1 -2.82 No
202 202 good [0.97] TMD8 NCGC00187912
Unknown
TAK-733
MEK Inhibitor
43.04 -87.37 0.96 0.96 0.41 -1.09 No
203 203 good [0.97] TMD8 NCGC00187912
Unknown
XMD8-92
ERK5/BMK1 Inhibitor
57.05 -63.25 0.98 0.98 0.16 -0.8 No
204 204 good [0.92] TMD8 NCGC00187912
Unknown
NCGC00242487
ERK Inhibitor
51.04 21.21 1 1 0.63 -0.42 No
205 205 good [0.98] TMD8 NCGC00187912
Unknown
S6K-18
p70 ribosomal S6 kinase (S6K1) Inhibitor
65.57 27.74 1 1 0.75 -0.47 No
206 206 good [0.96] TMD8 NCGC00187912
Unknown
PF-4708671
p70 ribosomal S6 kinase (S6K1) Inhibitor
66.69 -177.6 0.97 0.95 0.27 -1.42 No
207 207 good [0.98] TMD8 NCGC00187912
Unknown
PF-562271
Unknown
66.47 29.79 1.02 1.02 1.21 -0.91 No
208 208 medium [0.43] TMD8 NCGC00187912
Unknown
PF-573228
Focal Adhesion Kinase (FAK) Inhibitor
70.44 -225.98 0.93 0.93 0.07 -2.18 No
209 209 good [0.96] TMD8 NCGC00187912
Unknown
Ibrutinib (PCI-32765)
BTK Inhibitor
30.83 -18.6 1.04 0.99 2.31 -0.19 No
210 210 good [0.98] TMD8 NCGC00187912
Unknown
NCGC00188382-01
ITK inhibitor
85.53 -329.73 0.89 0.88 0.01 -2.91 No
211 211 good [0.99] TMD8 NCGC00187912
Unknown
BMS-509744
ITK Inhibitor
63.25 -105.76 0.96 0.95 0.54 -1.5 No
212 212 good [0.96] TMD8 NCGC00187912
Unknown
Midostaurin
PKC/flt3 Inhibitor
68.32 -140.27 0.98 0.97 0.28 -1.02 No
213 213 good [1.00] TMD8 NCGC00187912
Unknown
Enzastaurin
PKCa, PKCb, PKCg inhbitor
53.54 -26.55 1 0.99 0.47 -0.59 No
214 214 good [0.99] TMD8 NCGC00187912
Unknown
Sotrastaurin
PKC Inhibitor
50.85 -66.51 1.02 0.98 1.13 -0.43 No
215 215 good [0.97] TMD8 NCGC00187912
Unknown
Ruboxistaurin mesylate
PKC Inhibitor
70.18 -299.88 0.93 0.91 0.02 -2.38 No
216 216 good [0.94] TMD8 NCGC00187912
Unknown
NCGC00263018-01
Brk/PTK6 inhibitor
46.51 39.66 1 1 1.08 -0.68 No
217 217 good [0.99] TMD8 NCGC00187912
Unknown
GW-843682X
Polo-like Kinase-1 (Plk-1) Inhibitor
72.79 10.78 1.02 1.01 1.26 -0.68 No
218 218 good [0.98] TMD8 NCGC00187912
Unknown
BI-2536
Polo-like Kinase-1 (Plk-1) Inhibitor
69.76 -326.43 0.92 0.88 0.05 -2.1 No
219 219 good [0.81] TMD8 NCGC00187912
Unknown
Volasertib
Polo-like Kinase-1 (Plk-1) Inhibitor
70.52 -320.06 0.9 0.88 0.03 -2.3 No
220 220 good [0.98] TMD8 NCGC00187912
Unknown
GSK-461364A
Polo-like Kinase-1 (Plk-1) Inhibitor
72.56 -369.16 0.9 0.87 0.08 -2.65 No
221 221 good [0.97] TMD8 NCGC00187912
Unknown
KN-93
CaMK-II Inhibitor
74.7 -61.84 0.99 0.99 0.82 -1.26 No
222 222 good [0.98] TMD8 NCGC00187912
Unknown
KN-62
Ca2+/calmodulin dependent protein kinase inhibitor
74.09 113.49 1.03 1.03 1.63 -0.5 No
223 223 good [0.98] TMD8 NCGC00187912
Unknown
GSK-269962A
ROCK 1, ROCK 2 Inhibitor
67.57 -47.98 0.99 0.98 0.56 -1.04 No
224 224 good [0.97] TMD8 NCGC00187912
Unknown
Y-27632
ROCK 1, ROCK 2 Inhibitor
67.55 16.6 1.01 1 0.53 -0.29 No
225 225 good [0.98] TMD8 NCGC00187912
Unknown
GSK-650394
SGK1 and SGK2 inhibitor
60.85 -128.19 0.96 0.96 0.08 -1.35 No
226 226 good [0.97] TMD8 NCGC00187912
Unknown
AZD-1480
Jak1/2 Inhibitor
65.6 -110.11 0.99 0.98 0.47 -1.25 No
227 227 good [0.97] TMD8 NCGC00187912
Unknown
Tofacitinib
Jak1/2/3 Inhibitor
70.03 47.5 1.02 1.02 0.74 -0.21 No
228 228 good [0.99] TMD8 NCGC00187912
Unknown
Ruxolitinib
Jak1/2 Inhibitor
64.5 94.09 1.03 1.03 1.07 -0.12 No
229 229 good [0.96] TMD8 NCGC00187912
Unknown
Momelotinib
Jak1/2 Inhibitor
62.48 -198.19 0.95 0.94 0.13 -1.54 No
230 230 good [0.99] TMD8 NCGC00187912
Unknown
Lestaurtinib
Jak/Tyk/Flt Inhibitor
73.95 -358.71 0.87 0.83 0.13 -2.43 No
231 231 good [0.97] TMD8 NCGC00187912
Unknown
SB1518
Jak2 inhibitor
71.66 -239.72 0.94 0.93 0.03 -2.07 No
232 232 good [0.97] TMD8 NCGC00187912
Unknown
Leflunomide
DHODH Inhibitor
63.42 72.27 1.02 1.02 0.95 -0.23 No
233 233 good [0.99] TMD8 NCGC00187912
Unknown
NVP-BSK805
Jak2 Inhibitor
70.79 -22 1 1 0.44 -0.66 No
234 234 good [0.98] TMD8 NCGC00187912
Unknown
Degrasyn
Jak2 Inhibitor
61.29 -61.35 0.98 0.98 0.34 -0.9 No
235 235 good [0.92] TMD8 NCGC00187912
Unknown
RO495
Tyk 2 Inhibitor
81.17 -319.8 0.91 0.9 0.02 -2.91 No
236 236 good [0.91] TMD8 NCGC00187912
Unknown
NCGC00244250
Tyk 2 Inhibitor
60 -123.83 0.97 0.96 0.66 -1.63 No
237 237 good [0.97] TMD8 NCGC00187912
Unknown
NCGC00244250
Tyk 2 Inhibitor
63.07 -15.24 0.99 0.99 0.76 -0.82 No
238 238 good [0.97] TMD8 NCGC00187912
Unknown
ICG-001
Wnt Signaling Inhibitor
61.61 -129.28 0.97 0.96 0.2 -1.19 No
239 239 good [0.98] TMD8 NCGC00187912
Unknown
Wnt-C59
Wnt Signaling Inhibitor
71.28 -11.1 0.99 0.99 0.5 -0.61 No
240 240 good [0.78] TMD8 NCGC00187912
Unknown
D-4476
Casein Kinase 1 Inhibitor
52.12 2.26 1 1 0.51 -0.49 No
241 241 good [0.83] TMD8 NCGC00187912
Unknown
Silmitasertib
Casein Kinase 2 Inhibitor
79.08 -203.88 1.01 0.96 1.23 -2.45 No
242 242 good [0.97] TMD8 NCGC00187912
Unknown
Sonidegib
Smo Receptor Antagonist
54.42 20.26 1.02 1.01 0.9 -0.5 No
243 243 good [0.97] TMD8 NCGC00187912
Unknown
Cyclopamine
Smo Receptor Antagonist
54.32 -65.2 0.98 0.98 0.23 -0.75 No
244 244 good [0.97] TMD8 NCGC00187912
Unknown
Taladegib
Smoothened (Smo) Receptor Antagonist
68.46 -78.53 0.99 0.98 0.49 -1.09 No
245 245 good [0.98] TMD8 NCGC00187912
Unknown
SANT-2
Smoothened (Smo) Receptor Antagonist
47.63 -112.71 0.96 0.96 0.2 -1.33 No
246 246 good [0.97] TMD8 NCGC00187912
Unknown
Hh-Ag1.5
Smoothened (Smo) receptor Agonist
70.27 -187.21 0.95 0.94 0.37 -2.02 No
247 247 good [0.90] TMD8 NCGC00187912
Unknown
Vismodegib
Hedgehog Antagonist
68.29 87.53 1.02 1.02 1.18 -0.23 No
248 248 good [0.96] TMD8 NCGC00187912
Unknown
RO-4929097
g-Secretase Inhibitor
67.27 154.78 1.03 1.03 1.95 -0.4 No
249 249 good [0.97] TMD8 NCGC00187912
Unknown
MK-0752
g-Secretase Inhibitor
65.87 24.62 1.01 1.01 0.55 -0.3 No
250 250 good [0.97] TMD8 NCGC00187912
Unknown
YO-01027
g-Secretase Inhibitor
80.87 45.57 1.01 1.01 0.79 -0.34 No
251 251 good [0.97] TMD8 NCGC00187912
Unknown
GSI-IX
g-Secretase Inhibitor
53.89 -11.65 0.99 0.99 0.63 -0.6 No
252 252 good [0.96] TMD8 NCGC00187912
Unknown
NVP-XAV-939
TNKS1/TNKS2 Inhibitor
71.96 62.47 1.01 1.01 0.71 -0.09 No
253 253 good [0.95] TMD8 NCGC00187912
Unknown
NCGC00263015
TLR4 (LPS) Inhibitor
60.49 -15.1 0.99 0.99 0.51 -0.6 No
254 254 good [0.97] TMD8 NCGC00187912
Unknown
CPG-52364
TLR 7, 8 and 9 Antagonist
80.29 28.65 1.04 1.02 1.41 -0.57 No
255 255 good [0.92] TMD8 NCGC00187912
Unknown
IRAK-1-4 Inhibitor I
IRAK Inhibitor
18.94 99.22 1.01 1.01 1.17 -0.17 No
256 256 good [0.97] TMD8 NCGC00187912
Unknown
NCGC00241410
IRAK Inhibitor
55.51 -84.88 0.99 0.98 0.61 -1.16 No
257 257 good [0.99] TMD8 NCGC00187912
Unknown
NCGC00241411
IRAK Inhibitor
69.04 108.96 1.03 1.03 1.21 -0.12 No
258 258 good [0.96] TMD8 NCGC00187912
Unknown
BI-78D3
SAPK1 (JNK) Inhibitor
72.22 68.99 1.04 1.04 1.07 -0.29 No
259 259 good [0.93] TMD8 NCGC00187912
Unknown
SR-3306
JNK 1/2/3 Inhibitor
66.97 -104.01 0.97 0.92 0.1 -0.57 No
260 260 good [0.88] TMD8 NCGC00187912
Unknown
STF-083010
Serine/Threonine Kinase/Endoribonuclease IRE1 Inhibitor
66.07 14.51 0.99 0.99 0.84 -0.69 No
261 261 good [0.96] TMD8 NCGC00187912
Unknown
Irestatin 9389
IRE1alpha/XBP-1 Inhibitor
56.19 -83.23 0.97 0.97 0.21 -1.04 No
262 262 good [0.97] TMD8 NCGC00187912
Unknown
SB-265610
CXCR2 Antagonist
53.93 0.41 0.99 0.99 0.55 -0.54 No
263 263 good [0.96] TMD8 NCGC00187912
Unknown
Apilimod
PIKFyve Inhibitor
50.22 47.43 1.01 1.01 0.78 -0.3 No
264 264 good [0.97] TMD8 NCGC00187912
Unknown
PD-0220245
CXCR1/CXCR2 Receptor Antagonist
63.44 -169.8 0.95 0.95 0.02 -1.72 No
265 265 good [0.99] TMD8 NCGC00187912
Unknown
KRP-203
S1P1/3/4 Agonist
59.94 -29.35 0.98 0.98 0.38 -0.68 No
266 266 good [0.98] TMD8 NCGC00187912
Unknown
AMG-47a
Lck Kinase Inhibitor
68.59 -207.63 0.94 0.93 0.18 -1.69 No
267 267 good [0.97] TMD8 NCGC00187912
Unknown
Pim 1 Inhibitor 2
Pim-1 Kinase Inhibitor
45.1 -28.23 0.99 0.99 0.24 -0.53 No
268 268 good [0.96] TMD8 NCGC00187912
Unknown
SGI-1776
Pim-1/Flt3 Inhibitor
66.16 -144.84 0.96 0.96 0.08 -1.53 No
269 269 good [0.94] TMD8 NCGC00187912
Unknown
KI-20227
CSF1R (c-FMS) Inhibitor
54.38 10.15 1 1 0.5 -0.4 No
270 270 good [0.97] TMD8 NCGC00187912
Unknown
ABT-702
Adenosine Kinase Inhibitor
78.68 259.36 1.11 1.11 2.94 -0.34 No
271 271 good [0.99] TMD8 NCGC00187912
Unknown
AZ-3146
MPS1 Inhibitor
73.95 -214.75 0.93 0.93 0.16 -2.3 No
272 272 medium [0.59] TMD8 NCGC00187912
Unknown
MK-1775
Wee1 Kinase Inhibitor
70.91 -351.35 0.94 0.87 0.2 -1.64 No
273 273 medium [0.44] TMD8 NCGC00187912
Unknown
BMS-5
LIMK1/LIMK2 Inhibitor
73.61 -74.83 1 0.98 0.57 -0.85 No
274 274 good [0.98] TMD8 NCGC00187912
Unknown
AMG-Tie2-1
Tie-2 kinase Inhibitor
67.59 -159.8 0.97 0.95 0.44 -1.17 No
275 275 good [0.95] TMD8 NCGC00187912
Unknown
NVP-231
Ceramide kinase Inhibitor
75.78 -128.93 0.97 0.96 0.51 -1.74 No
276 276 good [0.96] TMD8 NCGC00187912
Unknown
D-NMAPPD
Ceramidase Inhibitor
64.81 -144.85 0.97 0.95 0.52 -1.46 No
277 277 good [0.97] TMD8 NCGC00187912
Unknown
Pazopanib
VEGFR-1/2/3 Inhibitor
60.11 -6.18 0.97 0.97 0.88 -0.94 No
278 278 good [0.74] TMD8 NCGC00187912
Unknown
TG-101348
Jak2 Inhibitor
71.19 -131.97 0.98 0.97 0.21 -1.53 No
279 279 good [0.95] TMD8 NCGC00187912
Unknown
Alvespimycin hydrochloride
Heat Shock Protein 90 (hsp90) Inhibitor
46.29 -17.16 0.98 0.98 0.68 -0.58 No
280 280 good [0.97] TMD8 NCGC00187912
Unknown
CCT-018159
Heat Shock Protein 90 (hsp90) Inhibitor
71.45 153.45 1.06 1.05 1.91 -0.09 No
281 281 good [0.75] TMD8 NCGC00187912
Unknown
CNF-2024
Heat Shock Protein 90 (hsp90) Inhibitor
58.42 -156.17 0.97 0.95 0.23 -1.01 No
282 282 good [0.90] TMD8 NCGC00187912
Unknown
NVP-AUY922
Heat Shock Protein 90 (hsp90) Inhibitor
44.6 -87.98 1.01 0.98 0.1 -0.15 No
283 283 good [0.95] TMD8 NCGC00187912
Unknown
Elesclomol (STA-4783)
Copper Chelator
53.3 -255.32 0.93 0.87 0.77 -1.25 No
284 284 good [0.99] TMD8 NCGC00187912
Unknown
VER-155008
Heat Shock Protein 70 (hsp70) Inhibitor
70.88 -20.63 0.99 0.99 0.61 -0.82 No
285 285 good [0.99] TMD8 NCGC00187912
Unknown
ISOX
HDAC Inhibitor
83.57 -280.18 0.93 0.9 0.16 -2.13 No
286 286 good [0.97] TMD8 NCGC00187912
Unknown
Vorinostat (SAHA)
HDAC Inhibitor
75.77 -219.45 0.95 0.93 0.06 -1.55 No
287 287 good [0.98] TMD8 NCGC00187912
Unknown
AR-42
HDAC Inhibitor
62.65 -201.39 0.92 0.9 0.08 -1.45 No
288 288 good [1.00] TMD8 NCGC00187912
Unknown
Belinostat
HDAC Inhibitor
78.14 -348.96 0.89 0.87 0.01 -2.88 No
289 289 good [0.96] TMD8 NCGC00187912
Unknown
Mocetinostat
HDAC Inhibitor
41.29 84.66 1.01 1.01 1.31 -0.29 No
290 290 good [0.97] TMD8 NCGC00187912
Unknown
Panobinostat
HDAC Inhibitor
49.86 -78.58 0.99 0.97 0 -0.33 No
291 291 medium [0.65] TMD8 NCGC00187912
Unknown
Pracinostat
HDAC Inhibitor
82.24 -290.03 0.92 0.88 0.02 -2.08 No
292 292 good [0.98] TMD8 NCGC00187912
Unknown
Romidepsin
HDAC Inhibitor
55.08 -6.26 1 1 0 -0.03 No
293 293 good [0.97] TMD8 NCGC00187912
Unknown
SRT-1720
Histone Deacetylase/SIRT1 Activator
75.29 -19.87 1 1 0.63 -0.83 No
294 294 good [0.99] TMD8 NCGC00187912
Unknown
Selisistat
Histone Deacetylase SIRT1 Inhibitor
68.16 -26.4 0.99 0.99 0.25 -0.52 No
295 295 good [0.87] TMD8 NCGC00187912
Unknown
Entinostat
HDAC Inhibitor
67.45 -53.88 1 0.99 0.67 -0.74 No
296 296 good [0.95] TMD8 NCGC00187912
Unknown
MG-149
Histone acetyltransferase Inhibitor
49.33 -94.34 0.95 0.95 0.51 -1.43 No
297 297 good [0.97] TMD8 NCGC00187912
Unknown
Veliparib
PARP Inhibitor
67.61 7.47 1 1 0.5 -0.42 No
298 298 good [0.97] TMD8 NCGC00187912
Unknown
Olaparib
PARP Inhibitor
66.44 -1.89 0.99 0.99 0.62 -0.64 No
299 299 good [0.97] TMD8 NCGC00187912
Unknown
AG-14361
PARP Inhibitor
48.04 40.96 1.01 1.01 0.7 -0.29 No
300 300 good [0.98] TMD8 NCGC00187912
Unknown
Rucaparib
PARP Inhibitor
70.71 -2.22 0.99 0.99 0.5 -0.52 No
301 301 good [0.97] TMD8 NCGC00187912
Unknown
Iniparib
PARP Inhibitor
67.65 -122.66 0.95 0.95 0.23 -1.46 No
302 302 good [0.98] TMD8 NCGC00187912
Unknown
Ixazomib
Proteasome Inhibitor
42.86 -30.68 1.01 0.99 0.46 -0.11 No
303 303 good [0.88] TMD8 NCGC00187912
Unknown
Carfilzomib
Proteasome Inhibitor
79.86 -137.28 0.95 0.9 0.02 -0.77 No
304 304 good [0.95] TMD8 NCGC00187912
Unknown
Bortezomib
Proteasome Inhibitor
51.99 -16.5 1 1 0.03 -0.07 No
305 305 good [0.98] TMD8 NCGC00187912
Unknown
Tosedostat
Aminopeptidase N Inhibitor
52.22 72.17 1 1 1.33 -0.61 No
306 306 good [0.92] TMD8 NCGC00187912
Unknown
Teriflunomide
DHODH Inhibitor
78.69 -179.63 0.95 0.95 0.13 -1.92 No
307 307 good [0.98] TMD8 NCGC00187912
Unknown
PD-166793
MMP13 Inhibitor
27.17 63.19 1.01 1.01 0.88 -0.25 No
308 308 good [0.96] TMD8 NCGC00187912
Unknown
SSR-69071
Leukocyte Elastase Inhibitor
53.7 57.62 1.01 1.01 0.84 -0.27 No
309 309 good [0.98] TMD8 NCGC00187912
Unknown
RG-108
DNA Methyltransferase (DNMT) Inhibitor
53.26 -3.46 0.99 0.99 0.38 -0.41 No
310 310 good [0.95] TMD8 NCGC00187912
Unknown
BIX-01294
EHMT2 Inhibitor
60.63 -31.3 1 0.99 0.52 -0.41 No
311 311 good [0.96] TMD8 NCGC00187912
Unknown
JQ1
Brd4 Inhibitor
68.48 -243.27 0.91 0.89 0.07 -1.79 No
312 312 good [0.97] TMD8 NCGC00187912
Unknown
NCGC00185090-04
APE1 inhibitor
78.32 60.48 1.03 1.03 1.04 -0.31 No
313 313 good [0.94] TMD8 NCGC00187912
Unknown
NCGC00189393
BLM Inhibitor
76.25 -31.49 0.99 0.99 0.33 -0.65 No
314 314 good [0.98] TMD8 NCGC00187912
Unknown
NCGC00247866
BLM Inhibitor
60.47 -96.03 0.96 0.96 0.25 -1.21 No
315 315 good [0.98] TMD8 NCGC00187912
Unknown
NCGC00241036
JMJ Inhibitor
70.7 61.86 1.02 1.02 0.89 -0.27 No
316 316 good [0.94] TMD8 NCGC00187912
Unknown
ML324
JMJ Inhibitor
72.62 -132.78 0.96 0.96 0.05 -1.38 No
317 317 good [0.97] TMD8 NCGC00187912
Unknown
Tipifarnib
Farnesyltransferase Inhibitor
79.29 -388.96 0.89 0.87 0 -3.12 No
318 318 good [0.88] TMD8 NCGC00187912
Unknown
LG-100268
RXR Agonist
77.56 54.76 1.02 1.02 0.84 -0.29 No
319 319 good [0.97] TMD8 NCGC00187912
Unknown
AHPN
RARgamma Agonist
55.99 -204.66 0.94 0.92 0.33 -1.38 No
320 320 good [0.97] TMD8 NCGC00187912
Unknown
AC-261066
RARbeta2 Agonist
65.44 133.28 1.04 1.04 1.41 -0.07 No
321 321 good [0.89] TMD8 NCGC00187912
Unknown
Fenretinide
RARbeta/gamma Agonist
70.09 -183.49 0.94 0.94 0.16 -1.97 No
322 322 good [0.99] TMD8 NCGC00187912
Unknown
Hydrocortisone
immunosuppressant
76.51 -328.83 0.87 0.86 0.19 -3.44 No
323 323 good [0.83] TMD8 NCGC00187912
Unknown
Dexamethasone
Antiinflammatory; glucocorticoid receptor antagonist
69.86 -398.72 0.9 0.85 0.09 -2.5 No
324 324 good [0.83] TMD8 NCGC00187912
Unknown
Cortivazol
Glucocorticoid Receptor (GR) Agonist
76.03 -369.25 0.91 0.87 0.46 -2.85 No
325 325 good [0.98] TMD8 NCGC00187912
Unknown
Deacetyl cortivazol
Glucocorticoid Receptor (GR) Agonist
71.7 -354.96 0.89 0.85 0.3 -2.85 No
326 326 good [0.98] TMD8 NCGC00187912
Unknown
Abiraterone
Androgen Biosynthesis Inhibitor
76.26 -281.45 0.91 0.91 0.02 -2.83 No
327 327 good [0.98] TMD8 NCGC00187912
Unknown
2-Methoxyestradiol
Hypoxia Inducible Factor 1-alpha Inhibitor
77.05 -153.67 0.97 0.96 0.51 -1.7 No
328 328 good [0.97] TMD8 NCGC00187912
Unknown
Quercetin
Flavone
50.4 -14.4 1 1 0.35 -0.5 No
329 329 good [0.97] TMD8 NCGC00187912
Unknown
Doxercalciferol
Vitamin D Analog
66.03 -15.49 0.99 0.99 0.33 -0.49 No
330 330 good [0.97] TMD8 NCGC00187912
Unknown
Seocalcitol
Vitamin D Analog
68.42 -86.72 0.97 0.97 0.12 -0.98 No
331 331 good [0.98] TMD8 NCGC00187912
Unknown
methyl jasmonate
cytochrome c release inducer
77.24 -150.25 0.96 0.96 0.34 -1.85 No
332 332 good [0.97] TMD8 NCGC00187912
Unknown
Bicalutamide
Androgen Receptor Antagonist
43.28 25.33 1 1 0.5 -0.25 No
333 333 good [0.97] TMD8 NCGC00187912
Unknown
Andarine
Selective Androgen Receptor Modulators (SARM)
67.41 27.22 1.01 1.01 0.62 -0.35 No
334 334 good [0.98] TMD8 NCGC00187912
Unknown
Enzalutamide
Androgen Receptor Antagonist
65.69 -20.02 0.99 0.99 0.39 -0.59 No
335 335 good [0.91] TMD8 NCGC00187912
Unknown
RD-162
Androgen Receptor Antagonist
23.08 17.17 0.99 0.99 0.55 -0.38 No
336 336 good [0.91] TMD8 NCGC00187912
Unknown
CITCO
Constitutive androstane receptor Agonist
70.99 -88.43 0.97 0.97 0.56 -1.44 No
337 337 good [0.97] TMD8 NCGC00187912
Unknown
PK-11195
Pregnane X Receptor (PXR) Agonist
75.84 178.04 1.02 1.02 1.98 -0.2 No
338 338 good [0.98] TMD8 NCGC00187912
Unknown
Pioglitazone hydrochloride
PPARgamma Agonist
62.27 24.39 1 1 0.6 -0.35 No
339 339 good [0.95] TMD8 NCGC00187912
Unknown
GW-7647
PPARalpha Agonist
59.63 119.99 0.99 0.99 1.69 -0.47 No
340 340 good [0.97] TMD8 NCGC00187912
Unknown
GW-0742
PPARgamma Agonist
50.44 14.8 0.99 0.99 0.51 -0.36 No
341 341 good [0.92] TMD8 NCGC00187912
Unknown
GW-501516
PPARdelta Agonist
67.85 -142.95 0.96 0.96 0.07 -1.4 No
342 342 good [0.96] TMD8 NCGC00187912
Unknown
Troglitazone
CCL2 Expression Inhibitor
70.6 49.88 1.01 1.01 0.72 -0.22 No
343 343 good [0.97] TMD8 NCGC00187912
Unknown
Telmisartan
Angiotensin AT1 Antagonist
64.15 164.48 1.05 1.05 1.65 -0.01 No
344 344 good [0.87] TMD8 NCGC00187912
Unknown
GSK-3787
PPARdelta Antagonist
55.91 -0.77 1 1 0.38 -0.39 No
345 345 good [0.98] TMD8 NCGC00187912
Unknown
MK-767
PPARalpha/gamma Agonist
52.91 -29.97 0.99 0.99 0.42 -0.72 No
346 346 good [0.97] TMD8 NCGC00187912
Unknown
SID-7969543
SF1 (NR5A1) Receptor Antagonist
75.6 -148.86 0.96 0.96 0.58 -1.96 No
347 347 good [0.97] TMD8 NCGC00187912
Unknown
Bazedoxifene
Selective Estrogen Receptor Modulators (SERM)
81.15 105.83 1.04 1.04 1.36 -0.3 No
348 348 good [0.97] TMD8 NCGC00187912
Unknown
Triptolide
Inhibition of RNA polymerase II mediated transcription
79.16 -195.27 0.92 0.87 0 -1.25 No
349 349 good [0.97] TMD8 NCGC00187912
Unknown
Apratastat
TNF-alpha-Converting Enzyme Inhibitor
60.03 -59.49 0.97 0.97 0.52 -1.07 No
350 350 good [0.96] TMD8 NCGC00187912
Unknown
HC-067047
TRPV4 Antagonist
68.91 110.9 1.04 1.04 1.31 -0.2 No
351 351 good [0.96] TMD8 NCGC00187912
Unknown
DE-096
TRPV4 Antagonist
81.5 -267.29 0.92 0.92 0.03 -2.63 No
352 352 good [0.97] TMD8 NCGC00187912
Unknown
GSK-3965
ABCA1 Expression Enhancer
76.5 4.51 1 1 0.38 -0.33 No
353 353 good [0.97] TMD8 NCGC00187912
Unknown
Omeprazole
ABCC3 Expression Enhancer
61.57 -167.87 0.95 0.95 0.1 -1.7 No
354 354 good [0.98] TMD8 NCGC00187912
Unknown
Elacridar
P-Glycoprotein (MDR-1) Inhibitor
53.59 -36.88 0.98 0.98 0.41 -0.78 No
355 355 good [0.81] TMD8 NCGC00187912
Unknown
Secin H3
GEF Inhibitor
74.36 -152.54 0.96 0.96 0 -1.53 No
356 356 good [0.97] TMD8 NCGC00187912
Unknown
CDIBA
Phospholipase C Inhibitor
74.64 -346.07 0.95 0.92 0 -3.14 No
357 357 good [0.98] TMD8 NCGC00187912
Unknown
U-73122
Phospholipase C Inhibitor
53.96 -112.13 0.95 0.95 0.52 -1.64 No
358 358 good [0.97] TMD8 NCGC00187912
Unknown
BAY-60-7550
Phosphodiesterase II (PDE2A) Inhibitor
75.78 108.75 1.03 1.03 1.23 -0.14 No
359 359 good [0.97] TMD8 NCGC00187912
Unknown
Anagrelide
Phosphodiesterase III (PDE3) Inhibitor
74.33 70.03 1.02 1.02 0.96 -0.26 No
360 360 good [0.94] TMD8 NCGC00187912
Unknown
Olprinone
Phosphodiesterase III (PDE3) Inhibitor
68.13 7.48 1 1 0.41 -0.33 No
361 361 good [0.98] TMD8 NCGC00187912
Unknown
NCGC00168459-01
Phosphodiesterase IIII (PDE4) Inhibitor
62.23 -192.76 0.99 0.96 0.31 -1.33 No
362 362 good [0.97] TMD8 NCGC00187912
Unknown
NCGC00249759
Phosphodiesterase IIII (PDE4) Inhibitor
53.15 63.63 1.01 1.01 0.83 -0.19 No
363 363 good [0.98] TMD8 NCGC00187912
Unknown
NVP-ABE171
Phosphodiesterase IIII (PDE4) inhibitor
62.89 -38.35 0.99 0.99 0.12 -0.51 No
364 364 good [0.91] TMD8 NCGC00187912
Unknown
Lirimilast
Phosphodiesterase IIII (PDE4) Inhibitor
55.14 6.09 0.99 0.99 0.88 -0.81 No
365 365 good [0.88] TMD8 NCGC00187912
Unknown
Sildenafil citrate
Phosphodiesterase V (PDE5) inhibitor
68.46 -36.5 0.99 0.99 0.45 -0.81 No
366 366 good [0.98] TMD8 NCGC00187912
Unknown
Alacepril
Angiotensin-I Converting Enzyme Inhibitor
46.32 -77.26 0.97 0.97 0.16 -0.92 No
367 367 good [0.97] TMD8 NCGC00187912
Unknown
Ubenimex
Leukotriene A4 Hydrolase Inhibitor
65.63 -17.38 0.99 0.99 0.42 -0.59 No
368 368 good [0.97] TMD8 NCGC00187912
Unknown
BAY-41-8543
Soluble Guanylate Cyclase (sGC) Activator
73.77 24.23 1.01 1.01 0.53 -0.28 No
369 369 good [0.97] TMD8 NCGC00187912
Unknown
Vinpocetine
Na channel blocker, also PDE1, IKK inhibitor
62.7 -94.6 0.97 0.97 0.1 -1.04 No
370 370 good [0.97] TMD8 NCGC00187912
Unknown
Verapamil
Dopamine D2 Receptor (DRD2) Antagonist
67.17 -40.71 0.99 0.99 0.19 -0.6 No
371 371 good [0.97] TMD8 NCGC00187912
Unknown
(S)-(+)-Niguldipine
L-type Ca2+ channel blocker
65.98 -133.65 0.97 0.96 0.57 -1.52 No
372 372 good [0.97] TMD8 NCGC00187912
Unknown
SR 33805
Ca2+ channel Antagonist
71.32 -62.87 0.98 0.98 0.28 -0.91 No
373 373 good [0.97] TMD8 NCGC00187912
Unknown
Zaldaride maleate
Calmodulin Antagonist
70.08 -46.58 0.99 0.99 0.05 -0.52 No
374 374 good [0.97] TMD8 NCGC00187912
Unknown
Riluzole
Glutamate Release Inhibitor
59.93 -13.35 0.99 0.99 0.31 -0.45 No
375 375 good [0.97] TMD8 NCGC00187912
Unknown
SSR-504734
Glycine Transporter 1 (GlyT-1) Inhibitor
65.33 -84.6 0.98 0.98 0.12 -0.96 No
376 376 good [0.96] TMD8 NCGC00187912
Unknown
SCH-900435
Glycine Transporter 1 (GlyT-1) Inhibitor
71.54 -179.87 0.95 0.94 0.15 -1.86 No
377 377 good [0.97] TMD8 NCGC00187912
Unknown
Ivacaftor
CFTR Channel Activator
46.78 -9.38 1 1 0.35 -0.4 No
378 378 good [0.97] TMD8 NCGC00187912
Unknown
Ivabradine hydrochloride
HCN [I(f)] Blocker
59.12 15.27 1 1 0.62 -0.47 No
379 379 good [0.91] TMD8 NCGC00187912
Unknown
ICI-D7288
HCN [I(h)] Blocker
68.9 -49.68 0.99 0.99 0.27 -0.77 No
380 380 good [0.98] TMD8 NCGC00187912
Unknown
GSK-1016790A
TRPV4 Agonist
69.62 -14.18 1.01 1.01 0.86 -1.01 No
381 381 good [0.94] TMD8 NCGC00187912
Unknown
Fenobam
mgluR5 Antagonist
59.31 -119.95 1 0.96 1.07 -1.12 No
382 382 good [0.97] TMD8 NCGC00187912
Unknown
MPEP
mgluR5 Antagonists
54.86 60.82 1.02 1.02 1 -0.27 No
383 383 good [0.98] TMD8 NCGC00187912
Unknown
Piboserod hydrochloride
5-HT4 Antagonists
63.58 -29.94 0.98 0.98 0.39 -0.69 No
384 384 good [0.97] TMD8 NCGC00187912
Unknown
SB-224289
5-HT1B Agonist
67.58 -289.48 0.91 0.9 0.06 -2.75 No
385 385 good [0.87] TMD8 NCGC00187912
Unknown
SB-206553
5-HT2B Receptor Antagonist
60.83 18.76 1.01 1 0.66 -0.44 No
386 386 good [0.87] TMD8 NCGC00187912
Unknown
Meclinertant
Carboxypeptidase A Inhibitor
71.69 -117.75 0.98 0.97 0.2 -1.26 No
387 387 good [0.98] TMD8 NCGC00187912
Unknown
Zibotentan
Endothelin ETA Receptor Antagonist
60.61 8.13 1.01 1.01 0.59 -0.51 No
388 388 medium [0.72] TMD8 NCGC00187912
Unknown
GW-4064X
Farnesoid X Receptor Agonist
48.36 17.5 1 1 0.42 -0.24 No
389 389 good [0.97] TMD8 NCGC00187912
Unknown
Turofexorate isopropyl
Farnesoid X Receptor Agonist
48.06 -47.83 0.96 0.96 0.71 -1.19 No
390 390 good [0.97] TMD8 NCGC00187912
Unknown
GW-9508
Free Fatty Acid Receptor 1 Agonist
77.44 33.28 1.01 1.01 0.66 -0.32 No
391 391 good [0.98] TMD8 NCGC00187912
Unknown
AG-041R
gastrin/CCKB receptor Antagonist
71.42 -161.46 0.96 0.96 0.13 -1.75 No
392 392 good [0.97] TMD8 NCGC00187912
Unknown
MK-0354
Nicotinic Acid Receptor Partial Agonist
45.4 28.58 1 1 0.78 -0.49 No
393 393 good [0.97] TMD8 NCGC00187912
Unknown
PB-28
sigma1/2 Receptor Agonist
61.7 -117.46 0.96 0.96 0.06 -1.24 No
394 394 good [0.98] TMD8 NCGC00187912
Unknown
Cutamesine hydrochloride
sigma1 Receptor Agonist
66.82 -31.03 0.99 0.99 0.42 -0.73 No
395 395 good [0.98] TMD8 NCGC00187912
Unknown
BD-1047
sigma Receptor Antagonist
49.06 -46.83 0.98 0.98 0.35 -0.82 No
396 396 good [0.97] TMD8 NCGC00187912
Unknown
SCH-79797
PAR1 Antagonist
75.76 -222.66 0.96 0.94 0.19 -1.84 No
397 397 good [0.97] TMD8 NCGC00187912
Unknown
Vorapaxar
PAR1 Antagonist
59.79 -32.01 1 0.99 0.27 -0.54 No
398 398 good [0.97] TMD8 NCGC00187912
Unknown
GB-83
PAR2 Antagonist
71.04 -47.2 0.99 0.99 0.32 -0.79 No
399 399 good [0.97] TMD8 NCGC00187912
Unknown
Aprepitant
Tachykinin NK1 Antagonist
60.96 -96.28 0.97 0.97 0.05 -1.01 No
400 400 good [0.97] TMD8 NCGC00187912
Unknown
GR-159897
Tachykinin NK2 Antagonist
69.47 -26.08 1 1 0.16 -0.42 No
401 401 good [0.97] TMD8 NCGC00187912
Unknown
Osanetant
Tachykinin NK3 Antagonist
75.14 -39.63 1 1 1.06 -1.46 No
402 402 good [0.92] TMD8 NCGC00187912
Unknown
Rolofylline
Adenosine A1 Antagonist
67.72 14.88 1 1 0.7 -0.55 No
403 403 good [0.97] TMD8 NCGC00187912
Unknown
Maraviroc
Chemokine CCR5 Antagonist
44.44 75.49 1.01 1.01 1.03 -0.27 No
404 404 good [0.97] TMD8 NCGC00187912
Unknown
LY-320135
Cannabinoid CB1 Antagonist
57.72 -35.49 0.99 0.99 0.24 -0.6 No
405 405 good [0.98] TMD8 NCGC00187912
Unknown
ACPA
cannabinoid CB1 antagonist
36.48 83.19 1.01 1.01 0.96 -0.13 No
406 406 good [0.98] TMD8 NCGC00187912
Unknown
MK-886
5-lipoxygenase-activating (FLAP) inhibitor
58.43 -3.94 1 1 0.52 -0.56 No
407 407 good [0.96] TMD8 NCGC00187912
Unknown
Veliflapon
5-lipoxygenase-activating (FLAP) Inhibitor
61.63 -70.48 0.97 0.97 0.22 -0.92 No
408 408 medium [0.72] TMD8 NCGC00187912
Unknown
Licofelone
5-Lipoxygenase Inhibitor
62.56 65.33 1.01 1.01 0.71 -0.05 No
409 409 good [0.97] TMD8 NCGC00187912
Unknown
Zileuton
5-Lipoxygenase Inhibitor
67.79 -86.32 0.96 0.96 0.71 -1.58 No
410 410 good [0.97] TMD8 NCGC00187912
Unknown
NCGC00185053
15-Lipoxygenase Inhibitor
56.56 -76.48 0.98 0.98 0.08 -0.84 No
411 411 good [0.87] TMD8 NCGC00187912
Unknown
Celecoxib
Cyclooxygenase-2 Inhibitor
63.81 -85.94 0.98 0.98 0.24 -1.1 No
412 412 good [0.97] TMD8 NCGC00187912
Unknown
Pravadoline
COX Inhibitor and cannabinoid (CB) agonist
66.54 15.93 1 1 0.38 -0.22 No
413 413 good [0.98] TMD8 NCGC00187912
Unknown
PF-3845
Fatty Acid Amide Hydrolase (FAAH) Inhibitor
66.9 134.1 1.04 1.04 1.39 -0.04 No
414 414 good [0.97] TMD8 NCGC00187912
Unknown
Fluvastatin
HMG-CoA Reductase Inhibitor
45.56 49.81 1.01 1.01 0.56 -0.06 No
415 415 good [0.99] TMD8 NCGC00187912
Unknown
Simvastatin
HMG-CoA Reductase Inhibitor
57.49 95.68 1.02 1.02 1.08 -0.12 No
416 416 good [0.99] TMD8 NCGC00187912
Unknown
Dalcetrapib
Cholesteryl Ester Transfer Protein (CETP) Inhibitor
51.26 -75.07 0.99 0.97 1.01 -1.1 No
417 417 good [0.95] TMD8 NCGC00187912
Unknown
JK-184
Alcohol dehydrogenase 7 Inhibitor
62.6 -279.08 0.94 0.9 0.03 -1.61 No
418 418 good [0.99] TMD8 NCGC00187912
Unknown
NCGC00037850
HPGD Inhibitor
63.54 73.84 1.01 1.01 1.07 -0.33 No
419 419 good [0.97] TMD8 NCGC00187912
Unknown
CAY-10581
IDO Inhibitor
74.36 -146.67 0.98 0.97 0.23 -1.28 No
420 420 good [0.98] TMD8 NCGC00187912
Unknown
EBPC
Aldose Reductase Inhibitor
45.78 75.49 1.01 1.01 0.99 -0.23 No
421 421 good [0.96] TMD8 NCGC00187912
Unknown
Piraxostat
Xanthine Oxidase Inhibitor
71.19 -135.48 0.95 0.95 0.22 -1.37 No
422 422 good [0.96] TMD8 NCGC00187912
Unknown
JZL-184
Monoacylglycerol lipase (MAGL) Inhibitor
74.5 67.53 1.05 1.04 1.28 -0.29 No
423 423 good [0.93] TMD8 NCGC00187912
Unknown
GW-4869
Neutral Sphingomyelinase (N-SMase) Inhibitor
20.66 85.11 1.02 1.02 1.04 -0.19 No
424 424 good [0.98] TMD8 NCGC00187912
Unknown
Ezatiostat
Glutathione-s-transferase P1 (GSTP1) Inhibitor
72.07 -14.96 1 1 0.67 -0.82 No
425 425 good [0.98] TMD8 NCGC00187912
Unknown
Vapiprost hydrochloride
Prostanoid TP Antagonist
67.3 18.84 1.01 1.01 0.62 -0.43 No
426 426 good [0.94] TMD8 NCGC00187912
Unknown
Ezetimibe
NPC1L1 Inhibitor
72.69 -22.1 1.02 1 0.78 -0.59 No
427 427 good [0.94] TMD8 NCGC00187912
Unknown
GSK-1995010
Fatty Acid Synthase (FAS) Inhibitor
42.09 -12.26 0.99 0.98 0.8 -0.65 No
428 428 good [0.97] TMD8 NCGC00187912
Unknown
FASN BI
Fatty Acid Synthase (FAS) Inhibitor
47.51 -39.37 0.99 0.99 0.71 -1 No
429 429 good [0.97] TMD8 NCGC00187912
Unknown
GSK-837149A
Fatty Acid Synthase (FAS) Inhibitor
65.95 -78.68 0.97 0.97 0.23 -1.01 No
430 430 good [0.90] TMD8 NCGC00187912
Unknown
FASN MRK
Fatty Acid Synthase (FAS) Inhibitor
66.44 -85.64 0.97 0.97 0.29 -1.06 No
431 431 good [0.97] TMD8 NCGC00187912
Unknown
Daporinad
NAMPT Inhibitor
18.61 17.91 1.05 1.01 1.93 -0 No
432 432 good [0.88] TMD8 NCGC00187912
Unknown
cPEPCK Inhibitor
cPEPCK Inhibitor
48.6 -23.89 0.97 0.97 0.85 -1.09 No
433 433 good [0.98] TMD8 NCGC00187912
Unknown
GLS-968
Glutaminase Inhibitor
51.92 17.93 1.01 1.01 0.42 -0.24 No
434 434 good [0.97] TMD8 NCGC00187912
Unknown
IPFK2
Inducible phosphofructokinase-2 Inhibitor
69.44 -319.25 0.93 0.91 0 -2.54 No
435 435 good [0.97] TMD8 NCGC00187912
Unknown
TEPP-46
PKM2 Activator
75.55 -89.02 0.98 0.98 0.23 -1.12 No
436 436 good [0.97] TMD8 NCGC00187912
Unknown
DASA-58
PKM2 Activator
64.15 -231.03 0.93 0.92 0.1 -2.04 No
437 437 medium [0.91] TMD8 NCGC00187912
Unknown
AZD-7545
Pyruvate Dehydrogenase Kinase 2 Inhibitor
20.46 21.86 1 1 0.63 -0.41 No
438 438 good [0.96] TMD8 NCGC00187912
Unknown
PDHK RIKEN
Pyruvate Dehydrogenase Kinase 2 Inhibitor
68.42 32.76 1.04 1.03 0.91 -0.54 No
439 439 good [0.97] TMD8 NCGC00187912
Unknown
NCGC00262689
Isocitrate dehydrogenase inhibitor
69.25 -10.07 1 1 0.48 -0.55 No
440 440 good [0.99] TMD8 NCGC00187912
Unknown
IDH-001
IDH1 Inhibitor
55.58 -33.72 0.99 0.99 0.37 -0.66 No
441 441 good [0.97] TMD8 NCGC00187912
Unknown
AR-C155858
MCT1 Inhibitor
60.03 -364.97 0.93 0.86 0.07 -1.67 No
442 442 good [0.96] TMD8 NCGC00187912
Unknown
CAP-232
Somatostatin srif2B (sst4) Agonist
66.33 -0.08 1 1 0.49 -0.49 No
443 443 good [0.97] TMD8 NCGC00187912
Unknown
NCGC00238624
GALK Inhibitor
67.18 -25.97 1 1 0.18 -0.44 No
444 444 medium [0.63] TMD8 NCGC00187912
Unknown
ACC1 BMS
Acetyl-CoA Carboxylase Inhibitor
67.46 -85.25 0.97 0.97 0.11 -0.96 No
445 445 medium [0.76] TMD8 NCGC00187912
Unknown
Ibutamoren mesilate
Growth Hormone Secretagogue
67.07 392.02 0.99 0.99 4.75 -0.83 No
446 446 good [0.83] TMD8 NCGC00187912
Unknown
ML-141
Cdc42 GTPase Inhibitor
62.9 -236.12 0.92 0.92 0.19 -2.32 No
447 447 good [0.96] TMD8 NCGC00187912
Unknown
QS11
ADP-ribosylation factor GTPase activating protein 1 Inhibitor
49.36 187.27 1.06 1.05 2.5 -0.14 No
448 448 good [0.98] TMD8 NCGC00187912
Unknown
Gavestinel sodium
NMDA Glycine-Site Antagonist
69.33 2.57 1 1 0.37 -0.28 No
449 449 good [0.91] TMD8 NCGC00187912
Unknown
Eliprodil
NMDA Antagonist
71.28 -47.4 1 0.99 0.36 -0.7 No
450 450 good [0.99] TMD8 NCGC00187912
Unknown
Caroverine
AMPA Antagonist
64.52 -93.66 0.97 0.97 0.09 -1.02 No
451 451 good [0.97] TMD8 NCGC00187912
Unknown
GYKI-53655
AMPA receptor antagonist
67.61 -264.57 0.96 0.93 0.18 -1.71 No
452 452 good [0.90] TMD8 NCGC00187912
Unknown
Dapagliflozin
SGLT-2 Inhibitor
57.85 -12.22 0.99 0.99 0.28 -0.4 No
453 453 medium [0.64] TMD8 NCGC00187912
Unknown
GSK-4112
Rev-erb alpha Agonist
47.51 137.27 1.04 1.04 1.7 -0.15 No
454 454 good [0.94] TMD8 NCGC00187912
Unknown
Sepantronium bromide
Survivin Inhibitor
54.58 -10.2 1 1 0 -0.06 No
455 455 good [0.97] TMD8 NCGC00187912
Unknown
BIBR-1532
Telomerase Inhibitor
45.72 -52.36 0.97 0.97 0.42 -0.94 No
456 456 good [0.98] TMD8 NCGC00187912
Unknown
ITX3
Triple Functional Domain Protein (TRIO) Inhibitor
61.2 -95.86 0.97 0.97 0.2 -1.16 No
457 457 good [0.96] TMD8 NCGC00187912
Unknown
Salinomycin
Anticoccidial/Antibacterial
74.19 -295.48 0.99 0.9 0.61 -1.66 No
458 458 good [0.95] TMD8 NCGC00187912
Unknown
Efavirenz
Reverse Transcriptase Inhibitor
57.11 75.58 1.03 1.02 1.25 -0.23 No
459 459 good [0.97] TMD8 NCGC00187912
Unknown
Ivachtin
Caspase 3 Inhibitor
51.19 62.24 1.02 1.02 1.05 -0.19 No
460 460 good [0.98] TMD8 NCGC00187912
Unknown
PAC-1
Procaspase 3 Activator
63.61 -76.83 0.99 0.99 0.28 -0.99 No
461 461 good [0.95] TMD8 NCGC00187912
Unknown
Necrostatin-1
RIP1 Kinase Inhibitor
66.45 -171.06 0.96 0.95 0.21 -1.58 No
462 462 good [0.94] TMD8 NCGC00187912
Unknown
NCGC00262398
USP2 Inhibitor
57.02 40.29 1.02 1.01 1.04 -0.35 No
463 463 good [0.74] TMD8 NCGC00187912
Unknown
Tiplasinin
PAI Inhibitor
56.74 9.37 1.01 1.01 0.54 -0.44 No
464 464 good [0.87] TMD8 NCGC00187912
Unknown
ASR-isobudimer-SO2Ph-4-CH2OC(O)NMe2
artemesinin analogue
52.68 -62.46 1 0.99 0.19 -0.39 No
465 465 good [0.94] TMD8 NCGC00187912
Unknown
BTM-2C-dimer ketone
artemesinin analogue
66.62 -232.88 0.93 0.91 0.51 -1.99 No
466 466 good [0.94] TMD8 NCGC00187912
Unknown
BTM-2C-dimer allyl oxime
artemesinin analogue
62.68 -85.52 1 0.97 0.17 -0.38 No