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 Drug		 63.08 18.82 1.01 1.01 0.63 -0.45 No
2 2 good [0.94] TMD8 NCGC00187912
Unknown		 Lonidamine
Mitochondrial pyruvate carrier 1 (MPC1) inhibitor		 48.85 76.97 1.01 1.01 0.92 -0.15 No
3 3 good [0.96] TMD8 NCGC00187912
Unknown		 Lenalidomide
Cereblon inhibitor		 83.47 -259.14 0.93 0.93 0.12 -2.71 No
4 4 good [0.83] TMD8 NCGC00187912
Unknown		 Cladribine
DNA Polymerase 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
Purine anatagonist		 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
DNA Polymerase 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 modulator (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 Protein KIF11 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
DNA Alkylating Drug		 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
Anti-fungal		 59.73 -143.52 0.95 0.95 0.08 -1.52 No
27 27 good [0.97] TMD8 NCGC00187912
Unknown		 Hydroxychloroquine sulfate
Anti-malarial		 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
ATP synthase inhibitor		 77.19 -11.8 1 1 0.53 -0.65 No
30 30 good [0.97] TMD8 NCGC00187912
Unknown		 Acadesine
AMP-Activated Protein Kinase (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
AMP-Activated Protein Kinase (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 Kinase 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 Kinase inhibitor		 63.5 -197.67 0.93 0.93 0.24 -2.13 No
34 34 good [0.99] TMD8 NCGC00187912
Unknown		 Ponatinib
Proto-oncogene tyrosine-protein kinase receptor Ret 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 Kinase 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 Kinase 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 Kinase inhibitor		 43.85 -53.9 0.97 0.96 0.81 -0.95 No
38 38 good [0.97] TMD8 NCGC00187912
Unknown		 Saracatinib
Proto-oncogene tyrosine-protein kinase Src inhibitor		 76.9 -244.58 0.94 0.93 0 -2.22 No
39 39 good [0.96] TMD8 NCGC00187912
Unknown		 PD-166285
Membrane-associated tyrosine-and threonine-specific cdc2-inhibitory kinase ...		 71.95 -256.65 0.89 0.89 0.04 -2.31 No
40 40 good [0.98] TMD8 NCGC00187912
Unknown		 Vandetanib
Proto-oncogene tyrosine-protein kinase receptor Ret inhibitor		 83.27 62.6 1.03 1.03 0.91 -0.28 No
41 41 good [0.98] TMD8 NCGC00187912
Unknown		 Erlotinib
Epidermal Growth Factor Receptor inhibitor		 66.27 -151.5 0.95 0.95 0.08 -1.6 No
42 42 good [0.97] TMD8 NCGC00187912
Unknown		 Gefitinib
Epidermal Growth Factor Receptor inhibitor		 73.94 -98.07 0.98 0.98 0.05 -1.03 No
43 43 good [1.00] TMD8 NCGC00187912
Unknown		 Lapatinib
Epidermal Growth Factor Receptor inhibitor		 73.45 -156.98 0.95 0.95 0.12 -1.69 No
44 44 good [0.90] TMD8 NCGC00187912
Unknown		 Neratinib
Epidermal Growth Factor Receptor inhibitor		 53.75 -82.89 0.98 0.97 0.54 -0.66 No
45 45 good [0.99] TMD8 NCGC00187912
Unknown		 Canertinib
Epidermal Growth Factor Receptor inhibitor		 51.79 513.44 1.14 1.13 5.81 -0.1 No
46 46 good [0.97] TMD8 NCGC00187912
Unknown		 AV-412
Epidermal Growth Factor Receptor inhibitor		 81.91 144.39 1.05 1.05 1.88 -0.32 No
47 47 good [0.97] TMD8 NCGC00187912
Unknown		 Dacomitinib
Epidermal Growth Factor Receptor inhibitor		 73.66 -15.3 1 1 0.56 -0.72 No
48 48 good [0.99] TMD8 NCGC00187912
Unknown		 CP-724714
Receptor tyrosine-protein kinase NEU (HER2; erbB2) inhibitor		 70.05 -145.63 0.96 0.96 0 -1.46 No
49 49 good [0.98] TMD8 NCGC00187912
Unknown		 Afatinib
Epidermal Growth Factor Receptor inhibitor		 76.57 -20.6 1 1 0.34 -0.44 No
50 50 good [0.95] TMD8 NCGC00187912
Unknown		 AEE-788
Epidermal Growth Factor Receptor inhibitor		 69.53 39.02 1 1 0.95 -0.56 No
51 51 good [0.99] TMD8 NCGC00187912
Unknown		 CUDC-101
Epidermal Growth Factor Receptor inhibitor		 85.26 -253.94 0.91 0.89 0.07 -2 No
52 52 good [0.98] TMD8 NCGC00187912
Unknown		 Pelitinib
Epidermal Growth Factor Receptor inhibitor		 70.41 -62.94 1.01 0.99 0.82 -0.92 No
53 53 good [0.96] TMD8 NCGC00187912
Unknown		 WZ-4002
Epidermal Growth Factor Receptor (Thr790Met Mutant) inhibitor		 81.82 102.05 1.04 1.03 1.97 -0.58 No
54 54 good [0.93] TMD8 NCGC00187912
Unknown		 Linifanib
Vascular Endothelial Growth Factor Receptor 2 (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
Vascular Endothelial Growth Factor Receptor 3 (VEGFR-3) inhibitor		 76.72 129.13 1.03 1.03 1.46 -0.17 No
56 56 good [0.97] TMD8 NCGC00187912
Unknown		 Sorafenib
Vascular Endothelial Growth Factor Receptor 3 (VEGFR-3) inhibitor		 65.83 -62.79 0.98 0.98 0.15 -0.77 No
57 57 good [0.95] TMD8 NCGC00187912
Unknown		 Vatalanib
Vascular Endothelial Growth Factor Receptor 2 (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
Vascular Endothelial Growth Factor Receptor 2 (VEGFR-2) inhibitor		 49.53 -7.89 0.99 0.99 0.29 -0.37 No
59 59 good [0.99] TMD8 NCGC00187912
Unknown		 Tivozanib
Vascular Endothelial Growth Factor Receptor 2 (VEGFR-2) inhibitor		 52.52 9.01 0.98 0.98 0.97 -0.82 No
60 60 good [0.97] TMD8 NCGC00187912
Unknown		 Nintedanib
Vascular Endothelial Growth Factor Receptor 3 (VEGFR-3) inhibitor		 83.37 -350.95 0.89 0.87 0.01 -2.89 No
61 61 good [0.97] TMD8 NCGC00187912
Unknown		 Brivanib
Vascular Endothelial Growth Factor Receptor 2 (VEGFR-2) inhibitor		 64.96 -65.45 0.97 0.97 0.38 -1.03 No
62 62 good [0.97] TMD8 NCGC00187912
Unknown		 Telatinib
Vascular Endothelial Growth Factor Receptor 3 (VEGFR-3) inhibitor		 57.8 14.13 1 1 0.44 -0.3 No
63 63 good [0.97] TMD8 NCGC00187912
Unknown		 Cabozantinib
Proto-oncogene tyrosine-protein kinase receptor Ret inhibitor		 58.17 -32.18 0.99 0.98 0.48 -0.71 No
64 64 good [0.95] TMD8 NCGC00187912
Unknown		 Cediranib
Vascular Endothelial Growth Factor Receptor 2 (VEGFR-2) inhibitor		 64.01 -115.21 0.97 0.97 0 -1.15 No
65 65 good [0.98] TMD8 NCGC00187912
Unknown		 BMS-794833
Vascular Endothelial Growth Factor Receptor 2 (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
Proto-oncogene tyrosine-protein kinase receptor Ret inhibitor		 76.33 -264.34 0.93 0.92 0.18 -2.58 No
67 67 good [0.97] TMD8 NCGC00187912
Unknown		 OSI-632
Vascular Endothelial Growth Factor Receptor 2 (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
Vascular Endothelial Growth Factor Receptor 2 (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
Proto-oncogene tyrosine-protein kinase receptor Ret inhibitor		 55.04 -44.32 0.99 0.99 0.13 -0.57 No
70 70 good [0.94] TMD8 NCGC00187912
Unknown		 Dovitinib
Vascular Endothelial Growth Factor Receptor 2 (VEGFR-2) inhibitor		 86.14 -9.65 0.99 0.99 0.9 -0.99 No
71 71 good [0.96] TMD8 NCGC00187912
Unknown		 Masitinib
Fibroblast Growth Factor Receptor 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
Fibroblast Growth Factor Receptor 3 inhibitor		 72.88 26.24 1 1 0.71 -0.44 No
73 73 good [0.83] TMD8 NCGC00187912
Unknown		 SG-00529
mTOR Complex 1 (mTORC1) inhibitor		 59.54 -135.19 0.95 0.95 0.15 -1.5 No
74 74 good [0.92] TMD8 NCGC00187912
Unknown		 Amuvatinib
Proto-oncogene tyrosine-protein kinase receptor Ret inhibitor		 76.25 -9.34 1 1 0.4 -0.49 No
75 75 good [0.96] TMD8 NCGC00187912
Unknown		 OSI-930
Vascular Endothelial Growth Factor Receptor 2 (VEGFR-2) inhibitor		 90.5 -57.67 0.99 0.99 0.68 -1.25 No
76 76 good [0.96] TMD8 NCGC00187912
Unknown		 Crizotinib
ALK Tyrosine Kinase Receptor 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
Tyrosine-protein kinase Mer inhibitor		 72.2 -97.39 0.96 0.96 0.28 -1.26 No
79 79 good [0.97] TMD8 NCGC00187912
Unknown		 PF-04217903
Hepatocyte Growth Factor Receptor inhibitor		 78.58 3.32 1 1 0.54 -0.5 No
80 80 good [0.98] TMD8 NCGC00187912
Unknown		 JNJ-38877605
Hepatocyte Growth Factor Receptor inhibitor		 57.16 69.26 1.03 1.03 0.93 -0.24 No
81 81 good [1.00] TMD8 NCGC00187912
Unknown		 SGX-523
Hepatocyte Growth Factor Receptor inhibitor		 76.62 -212.95 0.94 0.94 0.03 -2.16 No
82 82 good [0.98] TMD8 NCGC00187912
Unknown		 AMG-51
Hepatocyte Growth Factor Receptor inhibitor		 58.92 -1.38 1.03 1.02 0.82 -0.24 No
83 83 good [0.97] TMD8 NCGC00187912
Unknown		 Podofilox
Tubulin polymerization inhibitor		 62.81 -99.57 0.98 0.93 0.02 -0.41 No
84 84 good [0.97] TMD8 NCGC00187912
Unknown		 Linsitinib
Insulin-like growth factor 1 receptor inhibitor		 70.88 -116.23 0.96 0.96 0.15 -1.31 No
85 85 good [0.96] TMD8 NCGC00187912
Unknown		 GSK-1904529A
Insulin-like growth factor 1 receptor inhibitor		 23.63 145.31 1.03 1.03 1.53 -0.08 No
86 86 good [0.94] TMD8 NCGC00187912
Unknown		 Dorsomorphin
Bone morphogenetic protein receptor type-1A 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-beta receptor type-1 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-beta receptor type-1 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-beta receptor type-1 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-beta receptor type-1 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 Tyrosine Kinase Receptor 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-beta receptor type-1 inhibitor		 75.87 23.51 1 1 0.55 -0.31 No
94 94 good [0.97] TMD8 NCGC00187912
Unknown		 SB-431542
TGF-beta receptor type-1 inhibitor		 71.62 90.69 1.03 1.03 1.1 -0.19 No
95 95 good [0.98] TMD8 NCGC00187912
Unknown		 Tandutinib
Platelet-derived growth factor receptor alpha inhibitor		 58.81 64.6 1.03 1.03 0.9 -0.26 No
96 96 good [0.98] TMD8 NCGC00187912
Unknown		 Quizartinib
Receptor-type tyrosine-protein kinase 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
Neurotrophic Tyrosine Kinase Receptors (NTRK) 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
Tyrosine-protein kinase SYK inhibitor		 58.09 -172.15 0.95 0.93 0.31 -1.35 No
100 100 good [0.79] TMD8 NCGC00187912
Unknown		 R-406
Tyrosine-protein kinase SYK inhibitor		 60.97 -9.06 1.01 1 0.94 -0.68 No
101 101 good [0.97] TMD8 NCGC00187912
Unknown		 Perifosine
AKT serine/threonine kinase inhibitor		 70.53 -192.15 0.99 0.96 0.27 -1.76 No
102 102 good [0.75] TMD8 NCGC00187912
Unknown		 Pictilisib
Phosphatidylinositol 3-Kinase alpha isoform inhibitor		 56.81 -209.81 0.98 0.9 0.26 -0.6 No
103 103 good [0.98] TMD8 NCGC00187912
Unknown		 GSK-2126458
Phosphatidylinositol 3-Kinase beta isoform inhibitor		 43.63 -63.4 1 0.99 0.16 -0.23 No
104 104 bad [0.40] TMD8 NCGC00187912
Unknown		 IC-87114
Phosphatidylinositol 3-Kinase delta isoform inhibitor		 74.06 -386.74 0.92 0.86 0.07 -2.34 No
105 105 good [0.99] TMD8 NCGC00187912
Unknown		 PIK-90
Phosphatidylinositol 3-Kinase alpha isoform inhibitor		 51.55 -251.28 1.01 0.85 0.39 -0.6 No
106 106 good [0.99] TMD8 NCGC00187912
Unknown		 BKM-120
Phosphatidylinositol 3-Kinase beta isoform inhibitor		 68.52 -165.02 0.97 0.95 0.42 -1.44 No
107 107 good [0.99] TMD8 NCGC00187912
Unknown		 Idelalisib
Phosphatidylinositol 3-Kinase delta isoform inhibitor		 68.3 -420.64 0.92 0.81 0.04 -1.76 No
108 108 good [0.99] TMD8 NCGC00187912
Unknown		 BAG-956
Phosphatidylinositol 3-Kinase alpha isoform inhibitor		 64.58 -326.01 0.91 0.89 0.08 -2.19 No
109 109 good [1.00] TMD8 NCGC00187912
Unknown		 AZD-6482
Phosphatidylinositol 3-Kinase beta isoform inhibitor		 73.02 -242 0.92 0.9 0.29 -1.9 No
110 110 good [0.96] TMD8 NCGC00187912
Unknown		 CAY-10626
Phosphatidylinositol 3-Kinase alpha isoform inhibitor		 58.97 -357.65 0.93 0.84 0.16 -1.25 No
111 111 good [1.00] TMD8 NCGC00187912
Unknown		 PI-103
Phosphatidylinositol 3-Kinase beta isoform 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
NADH-Ubiquinone Oxidoreductase (Complex I) 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 serine/threonine kinase 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 serine/threonine kinase inhibitor		 74.42 -51.25 1 1 0.37 -0.66 No
116 116 good [1.00] TMD8 NCGC00187912
Unknown		 GSK-690693
AKT serine/threonine kinase 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 Complex 1 (mTORC1) 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
Phosphatidylinositol 3-Kinase alpha isoform 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 Complex 1 (mTORC1) 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 Complex 1 (mTORC1) inhibitor		 74.02 -357.25 0.88 0.8 0.07 -1.98 No
122 122 good [0.99] TMD8 NCGC00187912
Unknown		 AZD-8055
mTOR Complex 1 (mTORC1) 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
mTOR Complex 1 (mTORC1) inhibitor		 61.67 -235.12 0.94 0.91 0.22 -1.42 No
125 125 good [0.97] TMD8 NCGC00187912
Unknown		 WYE-354
mTOR Complex 1 (mTORC1) inhibitor		 69.16 -320.54 0.92 0.9 0.04 -2.39 No
126 126 good [0.99] TMD8 NCGC00187912
Unknown		 Salirasib
mTOR Complex 1 (mTORC1) 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-Dependent Protein Kinase 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-Dependent Protein Kinase 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 GTPase inhibitor		 59.97 -22.2 0.99 0.99 0.35 -0.58 No
130 130 good [0.97] TMD8 NCGC00187912
Unknown		 NCGC00188866
Rac1 GTPase inhibitor		 71.41 -145.46 0.95 0.95 0.32 -1.78 No
131 131 good [0.93] TMD8 NCGC00187912
Unknown		 VX-702
Mitogen-Activated Protein Kinase p38 inhibitor		 66.05 -205.8 0.94 0.93 0.1 -2.05 No
132 132 good [0.97] TMD8 NCGC00187912
Unknown		 SB-203580
Mitogen-Activated Protein Kinase p38 inhibitor		 56.01 10.54 1.01 1.01 0.64 -0.53 No
133 133 good [0.97] TMD8 NCGC00187912
Unknown		 VX-745
Mitogen-Activated Protein Kinase p38 inhibitor		 60.09 -106.87 0.97 0.97 0.15 -1.22 No
134 134 good [0.79] TMD8 NCGC00187912
Unknown		 Doramapimod
Mitogen-Activated Protein Kinase 11 inhibitor		 68.63 -115.86 0.96 0.96 0.17 -1.33 No
135 135 good [0.98] TMD8 NCGC00187912
Unknown		 PH-797804
Mitogen-Activated Protein Kinase p38 inhibitor		 58.52 -144.67 0.97 0.97 0.09 -1.52 No
136 136 good [0.95] TMD8 NCGC00187912
Unknown		 RWJ-67657
Tumor necrosis factor alpha Production inhibitor		 76.24 -147.67 0.97 0.96 0.48 -1.57 No
137 137 good [0.97] TMD8 NCGC00187912
Unknown		 Talmapimod
Mitogen-Activated Protein Kinase p38 inhibitor		 51.63 -113.63 0.95 0.95 0.36 -1.49 No
138 138 good [0.98] TMD8 NCGC00187912
Unknown		 FMK
Ribosomal Protein S6 Kinase alpha-3 inhibitor		 70.4 -166.2 0.95 0.95 0.01 -1.67 No
139 139 good [0.98] TMD8 NCGC00187912
Unknown		 BI-D1870
Ribosomal Protein S6 Kinase alpha-1 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
inhibitor of nuclear factor kappa B kinase subunit 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
Serine/threonine-protein kinase ULK1 inhibitor		 79.62 -293.38 0.92 0.91 0.12 -2.82 No
144 144 bad [0.67] TMD8 NCGC00187912
Unknown		 Bardoxolone methyl
Nuclear Factor Erythroid 2-Related Factor 2 activator		 84.45 -321.35 0.92 0.89 0 -2.34 No
145 145 good [0.95] TMD8 NCGC00187912
Unknown		 IKK-16
inhibitor of nuclear factor kappa B kinase subunit 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
NF-kappaB (NFKB) Activation inhibitor		 42.35 -33.57 0.98 0.98 0.49 -0.75 No
148 148 good [0.97] TMD8 NCGC00187912
Unknown		 PS-1145
inhibitor of nuclear factor kappa B kinase subunit 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
inhibitor of nuclear factor kappa B kinase subunit 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
Glycogen Synthase Kinase 3 (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
Glycogen Synthase Kinase 3 (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
inhibitor of nuclear factor kappa-B kinase subunit beta inhibitor		 73.44 -456.02 0.86 0.79 0 -2.84 No
154 154 good [0.97] TMD8 NCGC00187912
Unknown		 WAY-204688
Estrogen Receptor agonist		 65.6 -95.03 0.96 0.96 0.17 -1.12 No
155 155 good [0.98] TMD8 NCGC00187912
Unknown		 Sulfasalazine
Arachidonate 5-Lipoxygenase inhibitor		 55.43 -37.38 0.99 0.99 0.17 -0.55 No
156 156 good [0.98] TMD8 NCGC00187912
Unknown		 NCGC00263020
Mitogen-Activated Protein Kinase Kinase Kinase 14 (NIK) inhibitor		 72.51 -207.09 0.95 0.94 0.11 -2.03 No
157 157 good [0.97] TMD8 NCGC00187912
Unknown		 BX-795
Serine/threonine-protein kinase ULK1 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
Apoptosis regulator Bcl-2 inhibitor		 50.94 5.83 1.01 1 0.91 -0.3 No
163 163 good [0.99] TMD8 NCGC00187912
Unknown		 (-)-Gossypol
Apoptosis regulator Bcl-2 inhibitor		 65.73 -132.29 0.95 0.95 0.25 -1.49 No
164 164 good [1.00] TMD8 NCGC00187912
Unknown		 Chelerythrine chloride
P2X Purinoceptor 7 antagonist		 71.77 -169.48 0.97 0.96 0.19 -1.34 No
165 165 good [0.97] TMD8 NCGC00187912
Unknown		 Obatoclax
Apoptosis regulator Bcl-2 inhibitor		 39.65 -16.09 1 0.99 0.79 -0.34 No
166 166 good [0.96] TMD8 NCGC00187912
Unknown		 Navitoclax (ABT-263)
Apoptosis regulator Bcl-2 inhibitor		 91.13 -547.84 0.89 0.83 0.06 -4.29 No
167 167 good [0.97] TMD8 NCGC00187912
Unknown		 Nutlin-3
E3 Ubiquitin-Protein Ligase Mdm2 (Hdm2) 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
E3 Ubiquitin-Protein Ligase 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
E3 Ubiquitin-Protein Ligase 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
E3 Ubiquitin-Protein Ligase Mdm4 (Hdm4) inhibitor		 64.12 4.72 1.04 1.02 1.13 -0.5 No
172 172 good [0.99] TMD8 NCGC00187912
Unknown		 AZD-7762
Checkpoint kinase 1 inhibitor		 74.04 -275.28 0.91 0.82 0.07 -1.75 No
173 173 good [0.96] TMD8 NCGC00187912
Unknown		 PF-477736
Checkpoint kinase 1 inhibitor		 67.03 -329.08 0.91 0.89 0.14 -2.47 No
174 174 good [0.97] TMD8 NCGC00187912
Unknown		 Flavopiridol
Cyclin-Dependent Kinase 1 inhibitor		 68.88 -200.94 0.93 0.91 0.13 -1.58 No
175 175 good [0.98] TMD8 NCGC00187912
Unknown		 Purvalanol B
Cyclin-Dependent Kinase 1 inhibitor		 49.34 4.99 0.99 0.99 0.68 -0.58 No
176 176 good [0.97] TMD8 NCGC00187912
Unknown		 Seliciclib
Cyclin-Dependent Kinase 9 inhibitor		 53.75 -75.54 0.98 0.98 0.24 -1 No
177 177 good [0.96] TMD8 NCGC00187912
Unknown		 PHA-690509
Cyclin-Dependent Kinase 2 inhibitor		 80.7 -252.72 0.92 0.91 0.03 -2.05 No
178 178 good [0.97] TMD8 NCGC00187912
Unknown		 AT-7519
Cyclin-Dependent Kinase 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
Cyclin-Dependent Kinase 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
Cyclin-Dependent Kinase 9 inhibitor		 84.65 -75.37 1 0.98 0.33 -0.84 No
181 181 good [0.98] TMD8 NCGC00187912
Unknown		 PHA-793887
Cyclin-Dependent Kinase 4 inhibitor		 75.68 -104.36 0.99 0.99 0.69 -1.41 No
182 182 good [0.99] TMD8 NCGC00187912
Unknown		 Palbociclib
Cyclin-Dependent Kinase 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
Cell Division Cycle 25 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 A inhibitor		 69.03 -32.29 1 0.99 0.79 -0.76 No
185 185 good [0.96] TMD8 NCGC00187912
Unknown		 SNS-314
Aurora kinase A inhibitor		 88.55 -119.85 0.99 0.99 0.23 -1.43 No
186 186 good [0.82] TMD8 NCGC00187912
Unknown		 Tozasertib
Aurora kinase B inhibitor		 84.95 -306.03 0.92 0.92 0 -3.06 No
187 187 good [0.91] TMD8 NCGC00187912
Unknown		 Alisertib
Aurora kinase 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 kinase A inhibitor		 84.45 -122.07 1 0.98 0.83 -1.44 No
189 189 good [0.97] TMD8 NCGC00187912
Unknown		 CYC-116
Aurora kinase A inhibitor		 72.1 -85.71 1.01 0.99 0.8 -1 No
190 190 good [0.99] TMD8 NCGC00187912
Unknown		 Barasertib
Aurora kinase B 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 kinase A inhibitor		 78.43 -78.7 1 0.99 0.86 -1.38 No
192 192 good [0.98] TMD8 NCGC00187912
Unknown		 ENMD-981693
Aurora kinase A inhibitor		 73 -119.26 0.97 0.97 0.11 -1.3 No
193 193 good [0.97] TMD8 NCGC00187912
Unknown		 CHIR-265
Serine/threonine-protein kinase B-raf inhibitor		 72.66 -136.77 0.96 0.96 0.16 -1.51 No
194 194 good [0.97] TMD8 NCGC00187912
Unknown		 AZ-628
Serine/threonine-protein kinase B-raf inhibitor		 74.47 -198.75 0.95 0.94 0.21 -1.69 No
195 195 good [0.97] TMD8 NCGC00187912
Unknown		 Vemurafenib
Serine/threonine-protein kinase B-raf inhibitor		 6.08 55.7 1.01 1.01 0.66 -0.1 No
196 196 good [0.97] TMD8 NCGC00187912
Unknown		 PLX-4720
Serine/threonine-protein kinase B-raf (Val600Glu Mutant) inhibitor		 69.05 -74.66 0.97 0.97 0.17 -0.86 No
197 197 good [0.95] TMD8 NCGC00187912
Unknown		 AR-00341677
Serine/threonine-protein kinase B-raf inhibitor		 73.07 112.11 1.04 1.04 1.31 -0.19 No
198 198 good [0.95] TMD8 NCGC00187912
Unknown		 Refametinib
Dual Specificity Mitogen-Activated Protein Kinase Kinase 1 inhibitor		 67.25 -18.11 0.99 0.99 0.28 -0.46 No
199 199 good [0.98] TMD8 NCGC00187912
Unknown		 Selumetinib
Dual Specificity Mitogen-Activated Protein Kinase Kinase 1 inhibitor		 52.97 -119 0.96 0.96 0.35 -1.46 No
200 200 good [0.98] TMD8 NCGC00187912
Unknown		 PD-0325901
Dual Specificity Mitogen-Activated Protein Kinase Kinase 1 inhibitor		 71.74 -270.8 0.92 0.91 0.01 -2.7 No
201 201 good [0.97] TMD8 NCGC00187912
Unknown		 Trametinib
Dual Specificity Mitogen-Activated Protein Kinase Kinase 1 inhibitor		 72.27 -295.09 0.91 0.9 0.1 -2.82 No
202 202 good [0.97] TMD8 NCGC00187912
Unknown		 TAK-733
Dual Specificity Mitogen-Activated Protein Kinase Kinase 1 inhibitor		 43.04 -87.37 0.96 0.96 0.41 -1.09 No
203 203 good [0.97] TMD8 NCGC00187912
Unknown		 XMD8-92
Leucine-Rich Repeat Kinase 2 inhibitor		 57.05 -63.25 0.98 0.98 0.16 -0.8 No
204 204 good [0.92] TMD8 NCGC00187912
Unknown		 NCGC00242487
Mitogen-Activated Protein Kinase 3		 51.04 21.21 1 1 0.63 -0.42 No
205 205 good [0.98] TMD8 NCGC00187912
Unknown		 S6K-18
Ribosomal Protein S6 Kinase beta-1 inhibitor		 65.57 27.74 1 1 0.75 -0.47 No
206 206 good [0.96] TMD8 NCGC00187912
Unknown		 PF-4708671
Ribosomal Protein S6 Kinase beta-1 inhibitor		 66.69 -177.6 0.97 0.95 0.27 -1.42 No
207 207 good [0.98] TMD8 NCGC00187912
Unknown		 PF-562271
Focal Adhesion Kinase inhibitor		 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 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)
Bruton's Tyrosine Kinase (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
Tyrosine-protein kinase ITK/TSK inhibitor		 63.25 -105.76 0.96 0.95 0.54 -1.5 No
212 212 good [0.96] TMD8 NCGC00187912
Unknown		 Midostaurin
Receptor-type tyrosine-protein kinase FLT3 inhibitor		 68.32 -140.27 0.98 0.97 0.28 -1.02 No
213 213 good [1.00] TMD8 NCGC00187912
Unknown		 Enzastaurin
Phosphatidylinositol 3-Kinase alpha isoform inhibitor		 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
Protein Kinase C beta type 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
Serine/threonine-protein kinase PLK1 inhibitor		 72.79 10.78 1.02 1.01 1.26 -0.68 No
218 218 good [0.98] TMD8 NCGC00187912
Unknown		 BI-2536
Serine/threonine-protein kinase PLK1 inhibitor		 69.76 -326.43 0.92 0.88 0.05 -2.1 No
219 219 good [0.81] TMD8 NCGC00187912
Unknown		 Volasertib
Serine/threonine-protein kinase PLK1 inhibitor		 70.52 -320.06 0.9 0.88 0.03 -2.3 No
220 220 good [0.98] TMD8 NCGC00187912
Unknown		 GSK-461364A
Serine/threonine-protein kinase PLK1 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
P2X Purinoceptor 7 antagonist		 74.09 113.49 1.03 1.03 1.63 -0.5 No
223 223 good [0.98] TMD8 NCGC00187912
Unknown		 GSK-269962A
Rho-associated protein kinase 1 inhibitor		 67.57 -47.98 0.99 0.98 0.56 -1.04 No
224 224 good [0.97] TMD8 NCGC00187912
Unknown		 Y-27632
Rho-associated protein kinase 1 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
Tyrosine-protein kinase JAK2 inhibitor		 65.6 -110.11 0.99 0.98 0.47 -1.25 No
227 227 good [0.97] TMD8 NCGC00187912
Unknown		 Tofacitinib
Tyrosine-protein kinase JAK3 inhibitor		 70.03 47.5 1.02 1.02 0.74 -0.21 No
228 228 good [0.99] TMD8 NCGC00187912
Unknown		 Ruxolitinib
Tyrosine-protein kinase JAK2 inhibitor		 64.5 94.09 1.03 1.03 1.07 -0.12 No
229 229 good [0.96] TMD8 NCGC00187912
Unknown		 Momelotinib
Tyrosine-protein kinase JAK1 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
Dihydroorotate Dehydrogenase inhibitor		 63.42 72.27 1.02 1.02 0.95 -0.23 No
233 233 good [0.99] TMD8 NCGC00187912
Unknown		 NVP-BSK805
Tyrosine-protein kinase JAK2 inhibitor		 70.79 -22 1 1 0.44 -0.66 No
234 234 good [0.98] TMD8 NCGC00187912
Unknown		 Degrasyn
Signal Transducer and activator of Transcription 3 inhibitor		 61.29 -61.35 0.98 0.98 0.34 -0.9 No
235 235 good [0.92] TMD8 NCGC00187912
Unknown		 RO495
Non-receptor tyrosine-protein kinase Tyk2 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
Beta-catenin/TCF interaction inhibitor		 61.61 -129.28 0.97 0.96 0.2 -1.19 No
239 239 good [0.98] TMD8 NCGC00187912
Unknown		 Wnt-C59
Protein Serine O-Palmitoleoyltransferase Porcupine 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 epsilon 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
Smoothened Receptor antagonist		 54.42 20.26 1.02 1.01 0.9 -0.5 No
243 243 good [0.97] TMD8 NCGC00187912
Unknown		 Cyclopamine
Smoothened 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 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 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 Receptor agonist		 70.27 -187.21 0.95 0.94 0.37 -2.02 No
247 247 good [0.90] TMD8 NCGC00187912
Unknown		 Vismodegib
Smoothened Receptor antagonist		 68.29 87.53 1.02 1.02 1.18 -0.23 No
248 248 good [0.96] TMD8 NCGC00187912
Unknown		 RO-4929097
Notch Signaling inhibitor		 67.27 154.78 1.03 1.03 1.95 -0.4 No
249 249 good [0.97] TMD8 NCGC00187912
Unknown		 MK-0752
gamma-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
gamma-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
gamma-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
Tankyrase-1 inhibitor		 71.96 62.47 1.01 1.01 0.71 -0.09 No
253 253 good [0.95] TMD8 NCGC00187912
Unknown		 NCGC00263015
Toll-Like Receptor 4 antagonist		 60.49 -15.1 0.99 0.99 0.51 -0.6 No
254 254 good [0.97] TMD8 NCGC00187912
Unknown		 CPG-52364
Toll-Like Receptor 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
Interleukin-1 Receptor-Associated Kinase 1 inhibitor		 18.94 99.22 1.01 1.01 1.17 -0.17 No
256 256 good [0.97] TMD8 NCGC00187912
Unknown		 NCGC00241410
Interleukin-1 Receptor-Associated Kinase 1 inhibitor		 55.51 -84.88 0.99 0.98 0.61 -1.16 No
257 257 good [0.99] TMD8 NCGC00187912
Unknown		 NCGC00241411
Interleukin-1 Receptor-Associated Kinase 1 inhibitor		 69.04 108.96 1.03 1.03 1.21 -0.12 No
258 258 good [0.96] TMD8 NCGC00187912
Unknown		 BI-78D3
Mitogen-Activated protein kinase 8 (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
Mitogen-Activated protein kinase 8 (JNK) 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
Serine/threonine-protein kinase/endoribonuclease IRE1 inhibitor		 56.19 -83.23 0.97 0.97 0.21 -1.04 No
262 262 good [0.97] TMD8 NCGC00187912
Unknown		 SB-265610
Chemokine CXCR2 Receptor (IL-8 beta Receptor) antagonist		 53.93 0.41 0.99 0.99 0.55 -0.54 No
263 263 good [0.96] TMD8 NCGC00187912
Unknown		 Apilimod
Interleukin-12 Production inhibitor		 50.22 47.43 1.01 1.01 0.78 -0.3 No
264 264 good [0.97] TMD8 NCGC00187912
Unknown		 PD-0220245
Chemokine CXCR1/CXCR2 Receptor (IL-8 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
Sphingosine 1-phosphate receptor 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
Tyrosine-protein kinase Lck 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
Serine/threonine-protein kinase pim-1 inhibitor		 45.1 -28.23 0.99 0.99 0.24 -0.53 No
268 268 good [0.96] TMD8 NCGC00187912
Unknown		 SGI-1776
Serine/threonine-protein kinase pim-1 inhibitor		 66.16 -144.84 0.96 0.96 0.08 -1.53 No
269 269 good [0.94] TMD8 NCGC00187912
Unknown		 KI-20227
Colony Stimulating Factor 1 Receptor 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
Dual Specificity protein kinase TTK 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-like protein 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
LIM domain kinase 2 inhibitor		 73.61 -74.83 1 0.98 0.57 -0.85 No
274 274 good [0.98] TMD8 NCGC00187912
Unknown		 AMG-Tie2-1
Angiopoietin-1 Receptor 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
Vascular Endothelial Growth Factor Receptor 3 (VEGFR-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
Tyrosine-protein kinase 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)
Heat Shock Protein 70 inducer		 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 inhibitor		 70.88 -20.63 0.99 0.99 0.61 -0.82 No
285 285 good [0.99] TMD8 NCGC00187912
Unknown		 ISOX
Histone deacetylase 6, class IIB inhibitor		 83.57 -280.18 0.93 0.9 0.16 -2.13 No
286 286 good [0.97] TMD8 NCGC00187912
Unknown		 Vorinostat (SAHA)
Histone deacetylase 1, class I inhibitor		 75.77 -219.45 0.95 0.93 0.06 -1.55 No
287 287 good [0.98] TMD8 NCGC00187912
Unknown		 AR-42
Histone deacetylase 2, class I inhibitor		 62.65 -201.39 0.92 0.9 0.08 -1.45 No
288 288 good [1.00] TMD8 NCGC00187912
Unknown		 Belinostat
Histone deacetylase 1, class I inhibitor		 78.14 -348.96 0.89 0.87 0.01 -2.88 No
289 289 good [0.96] TMD8 NCGC00187912
Unknown		 Mocetinostat
Histone deacetylase 1, class I inhibitor		 41.29 84.66 1.01 1.01 1.31 -0.29 No
290 290 good [0.97] TMD8 NCGC00187912
Unknown		 Panobinostat
Histone deacetylase 1, class I inhibitor		 49.86 -78.58 0.99 0.97 0 -0.33 No
291 291 medium [0.65] TMD8 NCGC00187912
Unknown		 Pracinostat
Histone deacetylase 2, class I inhibitor		 82.24 -290.03 0.92 0.88 0.02 -2.08 No
292 292 good [0.98] TMD8 NCGC00187912
Unknown		 Romidepsin
Histone deacetylase 1, class I inhibitor		 55.08 -6.26 1 1 0 -0.03 No
293 293 good [0.97] TMD8 NCGC00187912
Unknown		 SRT-1720
NAD-Dependent Protein Deacetylase Sirtuin-1 activator		 75.29 -19.87 1 1 0.63 -0.83 No
294 294 good [0.99] TMD8 NCGC00187912
Unknown		 Selisistat
NAD-Dependent Protein Deacetylase Sirtuin-1 inhibitor		 68.16 -26.4 0.99 0.99 0.25 -0.52 No
295 295 good [0.87] TMD8 NCGC00187912
Unknown		 Entinostat
Histone deacetylase 2, class I 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 KAT5 inhibitor		 49.33 -94.34 0.95 0.95 0.51 -1.43 No
297 297 good [0.97] TMD8 NCGC00187912
Unknown		 Veliparib
Poly [ADP-ribose] polymerase 1 inhibitor		 67.61 7.47 1 1 0.5 -0.42 No
298 298 good [0.97] TMD8 NCGC00187912
Unknown		 Olaparib
Poly [ADP-ribose] polymerase 1 inhibitor		 66.44 -1.89 0.99 0.99 0.62 -0.64 No
299 299 good [0.97] TMD8 NCGC00187912
Unknown		 AG-14361
Poly [ADP-ribose] polymerase 1 inhibitor		 48.04 40.96 1.01 1.01 0.7 -0.29 No
300 300 good [0.98] TMD8 NCGC00187912
Unknown		 Rucaparib
Poly [ADP-ribose] polymerase 1 inhibitor		 70.71 -2.22 0.99 0.99 0.5 -0.52 No
301 301 good [0.97] TMD8 NCGC00187912
Unknown		 Iniparib
Poly [ADP-ribose] polymerase 1 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
Dihydroorotate Dehydrogenase inhibitor		 78.69 -179.63 0.95 0.95 0.13 -1.92 No
307 307 good [0.98] TMD8 NCGC00187912
Unknown		 PD-166793
Matrix Metalloproteinase-13 inhibitor		 27.17 63.19 1.01 1.01 0.88 -0.25 No
308 308 good [0.96] TMD8 NCGC00187912
Unknown		 SSR-69071
Neutrophil 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
DNA Methyltransferase (DNMT) inhibitor		 60.63 -31.3 1 0.99 0.52 -0.41 No
311 311 good [0.96] TMD8 NCGC00187912
Unknown		 JQ1
Bromodomain-Containing Protein 4 (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
Bloom Helicase inhibitor		 76.25 -31.49 0.99 0.99 0.33 -0.65 No
314 314 good [0.98] TMD8 NCGC00187912
Unknown		 NCGC00247866
Bloom Helicase inhibitor		 60.47 -96.03 0.96 0.96 0.25 -1.21 No
315 315 good [0.98] TMD8 NCGC00187912
Unknown		 NCGC00241036
Protein Jumonji inhibitor		 70.7 61.86 1.02 1.02 0.89 -0.27 No
316 316 good [0.94] TMD8 NCGC00187912
Unknown		 ML324
Lysine-Specific Demethylase 4E inhibitor		 72.62 -132.78 0.96 0.96 0.05 -1.38 No
317 317 good [0.97] TMD8 NCGC00187912
Unknown		 Tipifarnib
Protein farnesyltransferase/geranylgeranyltransferase type-1 inhibitor		 79.29 -388.96 0.89 0.87 0 -3.12 No
318 318 good [0.88] TMD8 NCGC00187912
Unknown		 LG-100268
Retinoic Acid Receptor RXR-alpha agonist		 77.56 54.76 1.02 1.02 0.84 -0.29 No
319 319 good [0.97] TMD8 NCGC00187912
Unknown		 AHPN
Retinoic Acid Receptor gamma agonist		 55.99 -204.66 0.94 0.92 0.33 -1.38 No
320 320 good [0.97] TMD8 NCGC00187912
Unknown		 AC-261066
Retinoic Acid Receptor beta agonist		 65.44 133.28 1.04 1.04 1.41 -0.07 No
321 321 good [0.89] TMD8 NCGC00187912
Unknown		 Fenretinide
Retinoic Acid Receptor gamma agonist		 70.09 -183.49 0.94 0.94 0.16 -1.97 No
322 322 good [0.99] TMD8 NCGC00187912
Unknown		 Hydrocortisone
Glucocorticoid Receptor agonist		 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 agonist		 71.7 -354.96 0.89 0.85 0.3 -2.85 No
326 326 good [0.98] TMD8 NCGC00187912
Unknown		 Abiraterone
Steroid 17-alpha-hydroxylase/17,20 lyase 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
Catechol-O-Methyltransferase inhibitor		 50.4 -14.4 1 1 0.35 -0.5 No
329 329 good [0.97] TMD8 NCGC00187912
Unknown		 Doxercalciferol
Vitamin D3 Receptor agonist		 66.03 -15.49 0.99 0.99 0.33 -0.49 No
330 330 good [0.97] TMD8 NCGC00187912
Unknown		 Seocalcitol
Vitamin D3 Receptor agonist		 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 modulator (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
Nuclear Receptor Subfamily 1 Group I Member 3 agonist		 70.99 -88.43 0.97 0.97 0.56 -1.44 No
337 337 good [0.97] TMD8 NCGC00187912
Unknown		 PK-11195
Translocator protein (TSPO) inhibitor		 75.84 178.04 1.02 1.02 1.98 -0.2 No
338 338 good [0.98] TMD8 NCGC00187912
Unknown		 Pioglitazone hydrochloride
Peroxisome proliferator-activated receptor gamma 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
Peroxisome proliferator-activated receptor delta agonist		 67.85 -142.95 0.96 0.96 0.07 -1.4 No
342 342 good [0.96] TMD8 NCGC00187912
Unknown		 Troglitazone
Peroxisome proliferator-activated receptor gamma agonist		 70.6 49.88 1.01 1.01 0.72 -0.22 No
343 343 good [0.97] TMD8 NCGC00187912
Unknown		 Telmisartan
Angiotensin AT1 Receptor 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
Peroxisome proliferator-activated receptor alpha agonist		 52.91 -29.97 0.99 0.99 0.42 -0.72 No
346 346 good [0.97] TMD8 NCGC00187912
Unknown		 SID-7969543
Steroidogenic factor 1 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 modulator (SERM)		 81.15 105.83 1.04 1.04 1.36 -0.3 No
348 348 good [0.97] TMD8 NCGC00187912
Unknown		 Triptolide
dCTP Pyrophosphatase 1 inhibitor		 79.16 -195.27 0.92 0.87 0 -1.25 No
349 349 good [0.97] TMD8 NCGC00187912
Unknown		 Apratastat
ADAM metallopeptidase domain 17 inhibitor		 60.03 -59.49 0.97 0.97 0.52 -1.07 No
350 350 good [0.96] TMD8 NCGC00187912
Unknown		 HC-067047
Transient receptor potential cation channel subfamily V member 4 antagonist		 68.91 110.9 1.04 1.04 1.31 -0.2 No
351 351 good [0.96] TMD8 NCGC00187912
Unknown		 SA-13353
Transient receptor potential cation channel subfamily V member 1 agonist		 81.5 -267.29 0.92 0.92 0.03 -2.63 No
352 352 good [0.97] TMD8 NCGC00187912
Unknown		 GSK-3965
LiverX Receptor (LXR) agonist		 76.5 4.51 1 1 0.38 -0.33 No
353 353 good [0.97] TMD8 NCGC00187912
Unknown		 Omeprazole
H+/K+ ATPase inhibitor		 61.57 -167.87 0.95 0.95 0.1 -1.7 No
354 354 good [0.98] TMD8 NCGC00187912
Unknown		 Elacridar
Multidrug resistance protein 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
Cytohesin inhibitor		 74.36 -152.54 0.96 0.96 0 -1.53 No
356 356 good [0.97] TMD8 NCGC00187912
Unknown		 CDIBA
Cytosolic Phospholipase A2 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 2A inhibitor		 75.78 108.75 1.03 1.03 1.23 -0.14 No
359 359 good [0.97] TMD8 NCGC00187912
Unknown		 Anagrelide
Phosphodiesterase 3A 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 4 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
Aminopeptidase N 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
Calcium Channel inhibitor		 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
Short transient receptor potential channel 5 agonist		 59.93 -13.35 0.99 0.99 0.31 -0.45 No
375 375 good [0.97] TMD8 NCGC00187912
Unknown		 SSR-504734
Sodium and chloride glycine transporter 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
Sodium and chloride glycine transporter 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 Potentiator		 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
Transient receptor potential cation channel subfamily V member 4 agonist		 69.62 -14.18 1.01 1.01 0.86 -1.01 No
381 381 good [0.94] TMD8 NCGC00187912
Unknown		 Fenobam
Glutamate receptor metabotropic 5 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-1 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
Hydroxycarboxylic Acid Receptor 2 Partial agonist		 45.4 28.58 1 1 0.78 -0.49 No
393 393 good [0.97] TMD8 NCGC00187912
Unknown		 PB-28
Sigma non-opioid intracellular receptor 1 antagonist		 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 non-opioid intracellular receptor 1 antagonist		 49.06 -46.83 0.98 0.98 0.35 -0.82 No
396 396 good [0.97] TMD8 NCGC00187912
Unknown		 SCH-79797
Proteinase-activated receptor 1 antagonist		 75.76 -222.66 0.96 0.94 0.19 -1.84 No
397 397 good [0.97] TMD8 NCGC00187912
Unknown		 Vorapaxar
Proteinase-activated receptor 1 antagonist		 59.79 -32.01 1 0.99 0.27 -0.54 No
398 398 good [0.97] TMD8 NCGC00187912
Unknown		 GB-83
Proteinase-Activated Receptor 2 antagonist		 71.04 -47.2 0.99 0.99 0.32 -0.79 No
399 399 good [0.97] TMD8 NCGC00187912
Unknown		 Aprepitant
Tachykinin receptor 1 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 receptor 2 antagonist		 69.47 -26.08 1 1 0.16 -0.42 No
401 401 good [0.97] TMD8 NCGC00187912
Unknown		 Osanetant
Tachykinin receptor antagonist		 75.14 -39.63 1 1 1.06 -1.46 No
402 402 good [0.92] TMD8 NCGC00187912
Unknown		 Rolofylline
Adenosine Receptor 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
Arachidonate 5-Lipoxygenase-Activating Protein inhibitor		 61.63 -70.48 0.97 0.97 0.22 -0.92 No
408 408 medium [0.72] TMD8 NCGC00187912
Unknown		 Licofelone
Arachidonate 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
Arachidonate 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(COX2) inhibitor		 63.81 -85.94 0.98 0.98 0.24 -1.1 No
412 412 good [0.97] TMD8 NCGC00187912
Unknown		 Pravadoline
Cannabinoid Receptor 1 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 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
Smoothened Receptor antagonist		 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
Indoleamine 2,3-dioxygenase 1 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 Dehydrogenase/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
Monoglyceride Lipase inhibitor		 74.5 67.53 1.05 1.04 1.28 -0.29 No
423 423 good [0.93] TMD8 NCGC00187912
Unknown		 GW-4869
Sphingomyelin phosphodiesterase 2 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 P 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 inhibitor		 42.09 -12.26 0.99 0.98 0.8 -0.65 No
428 428 good [0.97] TMD8 NCGC00187912
Unknown		 BI-99179
Fatty Acid Synthase 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 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 inhibitor		 66.44 -85.64 0.97 0.97 0.29 -1.06 No
431 431 good [0.97] TMD8 NCGC00187912
Unknown		 Daporinad
Nicotinamide phosphoribosyltransferase inhibitor		 18.61 17.91 1.05 1.01 1.93 -0 No
432 432 good [0.88] TMD8 NCGC00187912
Unknown		 cPEPCK Inhibitor
Phosphoenolpyruvate Carboxykinase, cytosolic [GTP] 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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2 inhibitor		 69.44 -319.25 0.93 0.91 0 -2.54 No
435 435 good [0.97] TMD8 NCGC00187912
Unknown		 TEPP-46
Pyruvate kinase M2 activator		 75.55 -89.02 0.98 0.98 0.23 -1.12 No
436 436 good [0.97] TMD8 NCGC00187912
Unknown		 DASA-58
Pyruvate kinase M2 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 (PDH) inhibitor		 20.46 21.86 1 1 0.63 -0.41 No
438 438 good [0.96] TMD8 NCGC00187912
Unknown		 PDHK RIKEN
Pyruvate dehydrogenase (PDH) 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
Isocitrate Dehydrogenase [NADP] cytoplasmic inhibitor		 55.58 -33.72 0.99 0.99 0.37 -0.66 No
441 441 good [0.97] TMD8 NCGC00187912
Unknown		 AR-C155858
Monocarboxylate Transporter 2 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
Cell Division Control Protein 42 Homolog 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 Receptor antagonist		 71.28 -47.4 1 0.99 0.36 -0.7 No
450 450 good [0.99] TMD8 NCGC00187912
Unknown		 Caroverine
NMDA Receptor 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
Sodium/glucose cotransporter 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
Nuclear Receptor Subfamily 1 Group D Member 1 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 reverse transcriptase 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 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
Caspase-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
Receptor-interacting serine/threonine-protein kinase 1 inhibitor		 66.45 -171.06 0.96 0.95 0.21 -1.58 No
462 462 good [0.94] TMD8 NCGC00187912
Unknown		 NCGC00262398
Ubiquitin Carboxyl-Terminal Hydrolase 2 inhibitor		 57.02 40.29 1.02 1.01 1.04 -0.35 No
463 463 good [0.74] TMD8 NCGC00187912
Unknown		 Tiplasinin
Plasminogen activator inhibitor 1 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