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Targets Binding with 20 Compounds


Target NameCommercially
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Compounds
Protein/Small MoleculeOther

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KiIC50KdEC50koffkonotherITCSDFTSV
1 β-lactamase (Bla2)BDB 0 3 25 0 0 0 0 0 0 0 2 2 2D 3DTSV
2 2.7.1.24EBI 0 0 1 0 0 0 0 0 0 0 1 9 2D 3DTSV
3 2.7.7.3EBI 0 0 1 0 0 0 0 0 0 0 1 9 2D 3DTSV
4 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomeraseEBI 2 0 20 0 0 0 0 0 0 0 1 5 2D 3DTSV
5 5-Lipoxygenase/5-lipoxygenase activating proteinEBI 2 0 37 0 0 0 0 0 0 0 1 0 2D 3DTSV
6 8-Oxoguanine DNA glycosylase-1 (OGG1)BDB 20 0 26 0 0 0 0 0 0 0 1 19 2D 3DTSV
7 ALADEBI 3 0 18 0 3 0 0 0 0 0 1 3 2D 3DTSV
8 ALADHEBI 7 1 38 0 3 0 0 0 0 0 3 10 2D 3DTSV
9 ANP-BEBI 0 1 19 0 0 0 0 0 0 0 3 12 2D 3DTSV
10 ANPR-BEBI 0 1 9 0 0 0 0 0 0 0 2 11 2D 3DTSV
11 ANPRBEBI 0 1 19 0 0 0 0 0 0 0 3 12 2D 3DTSV
12 AP,A phosphorylaseBDB 0 0 20 0 0 0 0 0 0 0 1 5 2D 3DTSV
13 AP-4-A phosphorylaseBDB 0 0 20 0 0 0 0 0 0 0 1 5 2D 3DTSV
14 ApelEBI 0 0 4 0 0 0 0 0 0 0 1 1 2D 3DTSV
15 ApelinEBI 0 20 4 0 0 0 0 0 0 0 1 5 2D 3DTSV
16 Apelin-13EBI 0 20 4 0 0 0 0 0 0 0 1 5 2D 3DTSV
17 Apelin-28EBI 0 20 4 0 0 0 0 0 0 0 1 5 2D 3DTSV
18 Apelin-31EBI 0 20 4 0 0 0 0 0 0 0 1 5 2D 3DTSV
19 Apelin-36EBI 0 20 4 0 0 0 0 0 0 0 1 5 2D 3DTSV
20 APJ endogenous ligandEBI 0 20 4 0 0 0 0 0 0 0 1 5 2D 3DTSV
21 AplnEBI 0 0 4 0 0 0 0 0 0 0 1 1 2D 3DTSV
22 Arabinose 5-phosphate isomeraseEBI 1 0 22 0 0 0 0 0 0 0 1 1 2D 3DTSV
23 Aspartokinase IBDB 19 20 0 0 0 0 0 0 0 0 1 4 2D 3DTSV
24 ATP adenylyltransferaseBDB 0 0 20 0 0 0 0 0 0 0 1 5 2D 3DTSV
25 Atrial natriuretic peptide receptor 2EBI 0 1 9 0 0 0 0 0 0 0 2 11 2D 3DTSV
26 Atrial natriuretic peptide receptor type BEBI 0 1 9 0 0 0 0 0 0 0 2 11 2D 3DTSV
27 BARD-1BDB 16 0 20 0 0 0 0 0 0 0 1 7 2D 3DTSV
28 BAS3245BDB 0 3 25 0 0 0 0 0 0 0 2 2 2D 3DTSV
29 Bifunctional aspartokinase/homoserine dehydrogenase 1BDB 19 20 0 0 0 0 0 0 0 0 1 4 2D 3DTSV
30 Bifunctional coenzyme A synthaseEBI 0 0 1 0 0 0 0 0 0 0 1 9 2D 3DTSV
31 bla2BDB 0 3 25 0 0 0 0 0 0 0 2 2 2D 3DTSV
32 BRCA1-associated RING domain protein 1BDB 16 0 20 0 0 0 0 0 0 0 1 7 2D 3DTSV
33 CFTR inhibitory factor, CifBDB 0 0 20 0 0 0 0 0 0 0 1 1 2D 3DTSV
34 cifBDB 0 0 20 0 0 0 0 0 0 0 1 1 2D 3DTSV
35 CoA synthaseEBI 0 0 1 0 0 0 0 0 0 0 1 9 2D 3DTSV
36 COASYEBI 0 0 1 0 0 0 0 0 0 0 1 9 2D 3DTSV
37 CUBPEBI 1 9 12 0 0 0 0 0 0 0 5 4 2D 3DTSV
38 Delta-aminolevulinic acid dehydratase, chloroplasticEBI 3 0 15 0 0 0 0 0 0 0 1 1 2D 3DTSV
39 Dephospho-CoA kinaseEBI 0 0 1 0 0 0 0 0 0 0 1 9 2D 3DTSV
40 Dephospho-CoA pyrophosphorylaseBDB 0 0 45 0 0 0 0 0 0 0 2 14 2D 3DTSV
41 Dephosphocoenzyme A kinaseEBI 0 0 1 0 0 0 0 0 0 0 1 9 2D 3DTSV
42 Diadenosine 5',5'''-P1,P4-tetraphosphate phosphorylaseBDB 0 0 20 0 0 0 0 0 0 0 1 5 2D 3DTSV
43 Disintegrin and metalloproteinase domain-containing protein 8EBI 0 0 20 0 0 0 0 0 0 0 2 6 2D 3DTSV
44 DNA Topoisomerase IV Subunit BBDB 0 0 20 0 0 0 0 0 0 0 2 3 2D 3DTSV
45 DPCKEBI 0 0 1 0 0 0 0 0 0 0 1 9 2D 3DTSV
46 DPCOAKEBI 0 0 1 0 0 0 0 0 0 0 1 9 2D 3DTSV
47 EML4-ALK EBI 0 0 38 0 0 0 0 0 0 0 2 0 2D 3DTSV
48 Epoxide Hydrolase B (EHB)BDB 10 0 24 0 0 0 0 0 0 0 2 4 2D 3DTSV
49 ESOP-1EBI 0 0 9 18 0 0 0 0 0 0 7 4 2D 3DTSV
50 ESOP1 EBI 0 0 9 18 0 0 0 0 0 0 7 4 2D 3DTSV
51 Fatty acid desaturase 2EBI 3 0 25 0 0 0 0 0 0 0 8 12 2D 3DTSV
52 Fe(3+)-Zn(2+) purple acid phosphataseEBI 5 18 6 0 0 0 0 0 0 0 3 3 2D 3DTSV
53 GBAA_3500BDB 0 3 25 0 0 0 0 0 0 0 2 2 2D 3DTSV
54 GC-BEBI 0 1 19 0 0 0 0 0 0 0 3 12 2D 3DTSV
55 Gelatinase 2 (MMP-2)BDB 0 0 20 0 0 0 0 0 0 0 1 1 2D 3DTSV
56 Glutamate receptors; NMDA/AMPABDB 0 0 29 0 0 0 0 0 0 0 2 7 2D 3DTSV
57 Glutamate [NMDA] receptor subunit 3ABDB 0 0 29 0 0 0 0 0 0 0 2 7 2D 3DTSV
58 gpr81EBI 1 0 0 0 1 0 0 0 0 0 1 1 2D 3DTSV
59 Guanylate cyclase BEBI 0 1 19 0 0 0 0 0 0 0 3 12 2D 3DTSV
60 HCAR1EBI 13 0 0 0 17 0 0 0 0 0 1 7 2D 3DTSV
61 HEMBEBI 3 0 15 0 0 0 0 0 0 0 1 1 2D 3DTSV
62 HIV-1 protease M1BDB 1 20 0 0 0 0 0 0 0 0 2 0 2D 3DTSV
63 Hydroxycarboxylic acid receptor 1EBI 13 0 0 0 18 0 0 0 0 0 1 10 2D 3DTSV
64 Iron(III)-zinc(II) purple acid phosphataseEBI 5 18 6 0 0 0 0 0 0 0 3 3 2D 3DTSV
65 KIAA0880EBI 15 15 14 0 0 0 0 0 0 0 5 9 2D 3DTSV
66 Liver copper-binding proteinEBI 1 9 12 0 0 0 0 0 0 0 5 4 2D 3DTSV
67 LuciferaseEBI 5 3 18 0 1 0 0 0 0 0 4 1 2D 3DTSV
68 Ly-96EBI 0 0 9 18 0 0 0 0 0 0 7 4 2D 3DTSV
69 LY96EBI 0 0 9 18 0 0 0 0 0 0 7 4 2D 3DTSV
70 Lymphocyte antigen 96EBI 0 0 9 18 0 0 0 0 0 0 7 4 2D 3DTSV
71 Malate dehydrogenaseEBI 8 0 21 0 0 0 0 0 0 0 2 2 2D 3DTSV
72 MD2EBI 0 0 9 18 0 0 0 0 0 0 7 4 2D 3DTSV
73 MMAC1EBI 0 0 2 0 0 0 0 0 0 0 1 8 2D 3DTSV
74 Mtb EHBBDB 10 0 24 0 0 0 0 0 0 0 2 4 2D 3DTSV
75 murEEBI 3 0 9 0 0 0 0 0 0 0 1 3 2D 3DTSV
76 MurE (S. aureus)BDB 0 0 12 0 0 0 0 0 0 0 2 1 2D 3DTSV
77 Mutated in multiple advanced cancers 1EBI 0 0 2 0 0 0 0 0 0 0 1 8 2D 3DTSV
78 N-acetylated-alpha-linked acidic dipeptidase 2EBI 1 20 0 0 0 0 0 0 0 0 1 5 2D 3DTSV
79 N-acetylated-alpha-linked acidic dipeptidase IIEBI 1 20 0 0 0 0 0 0 0 0 1 5 2D 3DTSV
80 NAALADase IIEBI 1 20 0 0 0 0 0 0 0 0 1 5 2D 3DTSV
81 NBPEBI 0 0 1 0 0 0 0 0 0 0 1 9 2D 3DTSV
82 Neuraminidase A (NanA)BDB 0 13 19 0 0 0 0 0 0 0 4 5 2D 3DTSV
83 NMDA receptor subunit 3A-1 (GluN3A)BDB 0 0 29 0 0 0 0 0 0 0 2 7 2D 3DTSV
84 NPR-BEBI 0 1 19 0 0 0 0 0 0 0 3 12 2D 3DTSV
85 NPR2EBI 0 1 9 0 0 0 0 0 0 0 2 11 2D 3DTSV
86 Nuclear receptor subfamily 2 group C member 2EBI 2 0 20 0 0 0 0 0 0 0 11 5 2D 3DTSV
87 Nuclear receptor subfamily 2 group C member 2 (TAK1)EBI 2 0 20 0 0 0 0 0 0 0 11 5 2D 3DTSV
88 OATP-BEBI 15 15 14 0 0 0 0 0 0 0 5 9 2D 3DTSV
89 OATP-RP2EBI 15 15 14 0 0 0 0 0 0 0 5 9 2D 3DTSV
90 Oatp2b1EBI 2 0 2 0 0 0 0 0 0 0 1 1 2D 3DTSV
91 OATPBEBI 15 15 14 0 0 0 0 0 0 0 5 9 2D 3DTSV
92 OATPRP2EBI 15 15 14 0 0 0 0 0 0 0 5 9 2D 3DTSV
93 Organic anion transporter BEBI 15 15 14 0 0 0 0 0 0 0 5 9 2D 3DTSV
94 Organic anion transporter moatp1EBI 2 0 2 0 0 0 0 0 0 0 1 1 2D 3DTSV
95 Organic anion transporter polypeptide-related protein 2EBI 15 15 14 0 0 0 0 0 0 0 5 9 2D 3DTSV
96 Orotate phosphoribosyltransferase (PfOPRT)BDB 0 20 0 0 0 0 0 0 0 0 1 1 2D 3DTSV
97 Pantetheine-phosphate adenylyltransferaseBDB 0 0 45 0 0 0 0 0 0 0 2 14 2D 3DTSV
98 Phosphatase and tensin homologEBI 0 0 2 0 0 0 0 0 0 0 1 8 2D 3DTSV
99 Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTENEBI 0 0 2 0 0 0 0 0 0 0 1 8 2D 3DTSV
100 Phosphopantetheine adenylyltransferaseEBI 0 0 1 0 0 0 0 0 0 0 1 9 2D 3DTSV
101 PhzREBI 5 0 7 0 14 0 0 0 0 0 2 1 2D 3DTSV
102 Poliovirus type 1 polyproteinEBI 1 0 19 1 0 0 0 0 0 0 3 7 2D 3DTSV
103 POV-2EBI 0 0 1 0 0 0 0 0 0 0 1 9 2D 3DTSV
104 PPAR delta proteinBDB 0 0 0 0 20 0 0 0 0 0 1 1 2D 3DTSV
105 PPATEBI 0 0 1 0 0 0 0 0 0 0 1 9 2D 3DTSV
106 Protease NS3/Non-structural protein 4A (NS3/NS4A)BDB 0 16 8 0 0 0 0 0 0 0 4 3 2D 3DTSV
107 Protease NS3/Non-structural protein 4A (NS3/NS4A) (D168V)BDB 0 16 8 0 0 0 0 0 0 0 4 3 2D 3DTSV
108 Protein Hcar1EBI 1 0 0 0 4 0 0 0 0 0 2 1 2D 3DTSV
109 Protein MD-2EBI 0 0 9 18 0 0 0 0 0 0 7 4 2D 3DTSV
110 Protein S100-BEBI 0 0 6 8 0 0 0 0 0 0 1 1 2D 3DTSV
111 Proto-oncogene tyrosine-protein kinase Src (T338C)BDB 0 0 20 0 0 0 0 0 0 0 1 0 2D 3DTSV
112 PTENEBI 0 0 2 0 0 0 0 0 0 0 1 8 2D 3DTSV
113 Putative hydrolaseBDB 0 0 20 0 0 0 0 0 0 0 1 1 2D 3DTSV
114 RCG21202EBI 1 0 0 0 4 0 0 0 0 0 2 1 2D 3DTSV
115 RET Mutant (M918T)BDB 20 0 0 39 0 0 0 0 0 0 2 0 2D 3DTSV
116 RET(M918T)BDB 20 0 0 39 0 0 0 0 0 0 2 0 2D 3DTSV
117 S-100 protein beta chainEBI 13 4 14 15 0 0 0 0 0 0 3 5 2D 3DTSV
118 S-100 protein subunit betaEBI 0 0 6 8 0 0 0 0 0 0 1 1 2D 3DTSV
119 S100 calcium-binding protein BEBI 0 0 6 8 0 0 0 0 0 0 1 1 2D 3DTSV
120 S100bEBI 0 0 6 8 0 0 0 0 0 0 1 1 2D 3DTSV
121 Serine protease NS3-NS5BBDB 0 0 0 0 53 0 0 0 0 0 1 0 2D 3DTSV
122 Serine protease NS3/RNA-directed RNA polymerase NS5B (NS3-NS5B)BDB 0 0 0 0 59 0 0 0 0 0 1 0 2D 3DTSV
123 Serotonin N-acetyltransferaseEBI 0 14 9 0 0 0 0 0 0 0 2 2 2D 3DTSV
124 Sialidase ABDB 0 13 19 0 0 0 0 0 0 0 4 5 2D 3DTSV
125 SLC21A9EBI 15 15 14 0 0 0 0 0 0 0 5 9 2D 3DTSV
126 Slco2b1EBI 2 0 2 0 0 0 0 0 0 0 1 1 2D 3DTSV
127 Solute carrier family 21 member 9EBI 17 15 16 0 0 0 0 0 0 0 6 10 2D 3DTSV
128 Solute carrier organic anion transporter family member 2B1EBI 17 15 16 0 0 0 0 0 0 0 6 10 2D 3DTSV
129 TEP1BDB 0 0 2 0 18 0 0 0 0 0 2 10 2D 3DTSV
130 Thyroid peroxidaseBDB 0 0 35 0 0 0 0 0 0 0 4 10 2D 3DTSV
131 Thyroid peroxidase (TPO)BDB 0 0 35 0 0 0 0 0 0 0 4 10 2D 3DTSV
132 TPOBDB 0 0 35 0 0 0 0 0 0 0 4 10 2D 3DTSV
133 UNGBDB 0 2 18 0 0 0 0 0 0 0 2 8 2D 3DTSV
134 Uracil-DNA glycosylase (UNG)BDB 0 2 18 0 0 0 0 0 0 0 2 8 2D 3DTSV
Sub total418569164425221500000
Total2680