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P43403 | ZAP70_HUMAN | Tyrosine-protein kinase ZAP-70 (ZAP70)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "SH2" // SH2 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3642578 OBDepict H 2 N N N H N O H N O IC50 = 1.0 nM 379.46 NCCCc1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL3642585 OBDepict CH 3 N N H N O N H N N IC50 = 2.0 nM 412.5 CN1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4cc[nH]c(=O)c34)cc2)CC1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL3415583 OBDepict CH 3 N NH H 3 C N N H O NH 2 H H NH 2 IC50 = 5.3 nM 354.46 Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1 Homo sapiens CHEMBL3420415 cell-based format
CHEMBL3642588 OBDepict H 3 C N H O CH 3 CH 3 N H N O N H N N IC50 = 8.0 nM 414.47 CNC(=O)C(C)(C)c1ccc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)cc1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL112346 OBDepict CH 3 H NH N N N N N H O O H 3 C O H 3 C CH 3 IC50 = 8.0 nM 450.54 CC[C@H]1CN(c2ccc(-c3ccnc(Nc4cc(OC)c(OC)c(OC)c4)n3)cn2)CCN1 Homo sapiens CHEMBL824029 single protein format
CHEMBL3642590 OBDepict CH 3 O N N N H N O H N O CH 3 IC50 = 8.0 nM 497.6 COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CCC(C)=O)CC4)cc3)n2)c1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL3642579 OBDepict H 3 C N N N N H N O H N O IC50 = 9.0 nM 434.54 CCN1CCN(c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)CC1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL575048 OBDepict H 3 C N H S O O N H N Br N N H IC50 = 10.0 nM 474.38 CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc3c2CCC3)ncc1Br Homo sapiens CHEMBL1037893 cell-based format
CHEMBL573483 OBDepict CH 3 S O O NH N Cl N N H O H 3 C N N N H O H 3 C IC50 = 10.0 nM 574.11 CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(C(=O)NC)CC3)cc2OC)ncc1Cl Homo sapiens CHEMBL1037893 cell-based format
CHEMBL325912 OBDepict CH 3 O O NH H 3 C O H 3 C N N N N HN H H 3 C IC50 = 11.0 nM 436.52 COc1cc(Nc2nccc(-c3ccc(N4CCN[C@@H](C)C4)nc3)n2)cc(OC)c1OC Homo sapiens CHEMBL824029 single protein format
CHEMBL3262616 OBDepict O N H N N N H NH H N H NH 2 H IC50 = 14.0 nM 389.46 N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3[nH]ccc23)n1 Homo sapiens CHEMBL3268710 single protein format
CHEMBL3262622 OBDepict H 3 C N N NH N N H O N H H H NH 2 O IC50 = 18.0 nM 405.46 Cn1cc2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc2n1 Homo sapiens CHEMBL3268710 single protein format
CHEMBL3642587 OBDepict O N H N H N HN N F F F O IC50 = 24.0 nM 419.41 O=c1[nH]ccc2cc(NCC(F)(F)F)nc(Nc3ccc(N4CCOCC4)cc3)c12 Homo sapiens CHEMBL3705049 single protein format
CHEMBL112518 OBDepict H 3 C O O HN CH 3 O CH 3 N N N N NH CH 3 IC50 = 26.0 nM 436.52 COc1cc(Nc2nccc(-c3ccc(N4CCNC(C)C4)nc3)n2)cc(OC)c1OC Homo sapiens CHEMBL824029 single protein format
CHEMBL112172 OBDepict CH 3 O O O H 3 C CH 3 N H N N N N N H IC50 = 31.0 nM 436.52 COc1cc(Nc2nccc(-c3ccc(N4CCCNCC4)nc3)n2)cc(OC)c1OC Homo sapiens CHEMBL824029 single protein format
CHEMBL3642596 OBDepict CH 3 O N N N N H N O H CH 3 O IC50 = 31.0 nM 443.51 COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCOCC4)c(C)c3)n2)n1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL3262357 OBDepict O N H N N NH HN N H H H H 2 N CH 3 IC50 = 33.0 nM 403.49 Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 Homo sapiens CHEMBL3268710 single protein format
CHEMBL573019 OBDepict CH 3 S O O NH N Cl N N H O H 3 C N N N O H 3 C H 3 C IC50 = 40.0 nM 588.13 CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(C(=O)N(C)C)CC3)cc2OC)ncc1Cl Homo sapiens CHEMBL1037893 cell-based format
CHEMBL459147 OBDepict CH 3 O N H O CH 3 N HN N O H 2 N N H H H 2 N IC50 = 41.0 nM 501.59 COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3cc(-c4ccccc4)nc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL992588 cell-based format
CHEMBL475251 OBDepict CH 3 O O NH H 3 C O H 3 C N N N H F N N H O O H 3 C H 3 C IC50 = 42.0 nM 470.46 COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC Homo sapiens CHEMBL3268710 single protein format
CHEMBL3642583 OBDepict CH 3 H 3 C N N N N H N O H N O CH 3 IC50 = 44.0 nM 484.6 CC(=O)N1CCC(c2ccc(Nc3nc(-c4cnn(CC(C)C)c4)cc4cc[nH]c(=O)c34)cc2)CC1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL420672 OBDepict CH 3 O O NH H 3 C O H 3 C N N N N N H 3 C IC50 = 46.0 nM 436.52 COc1cc(Nc2nccc(-c3ccc(N4CCN(C)CC4)nc3)n2)cc(OC)c1OC Homo sapiens CHEMBL824029 single protein format
CHEMBL3642595 OBDepict CH 3 N N N H N O N N H N O H 3 C IC50 = 46.0 nM 485.59 CCN1CCN(CCc2ccc(Nc3nc(-c4cncc(OC)n4)cc4cc[nH]c(=O)c34)cc2)CC1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL3262620 OBDepict O N H N N NH HN N H H H H 2 N CH 3 O IC50 = 47.0 nM 405.46 Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 Homo sapiens CHEMBL3268710 single protein format
CHEMBL511829 OBDepict CH 3 O NH O CH 3 N N H N O NH 2 N O HO IC50 = 47.0 nM 488.5 COc1cc(Nc2nc(NCc3ccc(/C=C/C(=O)O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL3642598 OBDepict H 2 N N N N NH N O CH 3 N N H 3 C IC50 = 48.0 nM 348.37 Cn1cc(Nc2nc(-c3cnc(N)nc3)cc3ccn(C)c(=O)c23)cn1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL584570 OBDepict H 3 C O N H O N N H 3 C CH 3 N H 3 C H 3 C N H Cl S NH O O H 3 C CH 3 IC50 = 50.0 nM 577.15 COc1cc(OCC(C)(C)CN(C)C)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 Homo sapiens CHEMBL1037893 cell-based format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 53.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL992588 cell-based format
CHEMBL322066 OBDepict CH 3 O O NH H 3 C O H 3 C N N N N HN IC50 = 54.0 nM 422.49 COc1cc(Nc2nccc(-c3ccc(N4CCNCC4)nc3)n2)cc(OC)c1OC Homo sapiens CHEMBL824029 single protein format
CHEMBL4870513 OBDepict Cl NH O N H N N NH N O NH 2 O O CH 3 CH 3 IC50 = 55.0 nM 509.95 COc1cc(Nc2nc(NCc3cccc(NC(=O)CCl)c3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL4821562 cell-based format
CHEMBL3642577 OBDepict O N H N H N N O IC50 = 58.0 nM 398.47 O=c1[nH]ccc2cc(-c3ccccc3)nc(Nc3ccc(N4CCOCC4)cc3)c12 Homo sapiens CHEMBL3705049 single protein format
CHEMBL2177736 OBDepict NH 2 O N NH N HN H N H H 2 N N N IC50 = 60.0 nM 393.45 NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1 Homo sapiens CHEMBL3268710 single protein format
CHEMBL572508 OBDepict H 3 C N H S O O N H N Br N NH CH 3 N CH 3 H 3 C IC50 = 70.0 nM 491.42 CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(N(C)C)c2C)ncc1Br Homo sapiens CHEMBL1037893 cell-based format
CHEMBL3262355 OBDepict O N H N N H N NH N H N N H NH 2 IC50 = 74.0 nM 417.48 N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc(-n3nccn3)c2)n1 Homo sapiens CHEMBL3268710 single protein format
CHEMBL3979920 OBDepict H 3 C N N N N H O NH F H H NH 2 IC50 = 75.0 nM 344.39 Cn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)cn1 Homo sapiens CHEMBL3869724 assay format
CHEMBL3642584 OBDepict H 3 C N CH 3 O NH N O N H N N IC50 = 78.0 nM 386.42 CN(C)C(=O)c1ccc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)cc1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL3642593 OBDepict H 3 C N H N N O N H N N IC50 = 79.0 nM 452.56 Cc1cc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)ccc1C1CCN(C2CC2)CC1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL574841 OBDepict CH 3 O N H N N N CH 3 N N H Br S N H O O H 3 C IC50 = 80.0 nM 544.44 CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(-n3ccnc3C)cc2OC)ncc1Br Homo sapiens CHEMBL1037893 cell-based format
CHEMBL3262625 OBDepict O N H N NH HN N H H H H 2 N CH 3 IC50 = 81.0 nM 402.5 Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc12 Homo sapiens CHEMBL3268710 single protein format
CHEMBL3975634 OBDepict CH 3 O H O N H N H H 3 C N N HO IC50 = 87.49 nM 452.51 CN[C@H]1CC2OC([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(O)=NC4 Homo sapiens CHEMBL3707728 single protein format
CHEMBL480014 OBDepict CH 3 O O N H N N NH N O NH 2 O O CH 3 H 3 C IC50 = 88.0 nM 516.56 CCOC(=O)/C=C/c1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL573484 OBDepict CH 3 S O O NH N Cl N N H O H 3 C N O NH 2 IC50 = 90.0 nM 559.09 CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(C(N)=O)CC3)cc2OC)ncc1Cl Homo sapiens CHEMBL1037893 cell-based format
CHEMBL472840 OBDepict CH 3 O N H O CH 3 N HN N O H 2 N N N H H H 2 N Cl IC50 = 97.0 nM 537.02 COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3nc(-c4ccccc4Cl)nc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL981177 single protein format
CHEMBL3642586 OBDepict CH 3 N N N H N O H N O IC50 = 109.0 nM 413.48 Cc1ccncc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL478642 OBDepict CH 3 O N H O CH 3 N HN N O H 2 N N N H H H 2 N IC50 = 110.0 nM 502.58 COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3nc(-c4ccccc4)nc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL981177 single protein format
CHEMBL3642591 OBDepict CH 3 N O HN N O N S N H CH 3 IC50 = 115.0 nM 447.56 Cc1csc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC4CCN(C)CC4)cc3)n2)n1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL475882 OBDepict H 3 C O O N H H 3 C N NH N O NH 2 N N H H NH 2 O CH 3 IC50 = 120.0 nM 532.61 COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3nc(-c4cccc(OC)c4)nc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL981177 single protein format
CHEMBL475609 OBDepict CH 3 O N H O CH 3 N HN N O H 2 N N N H H H 2 N IC50 = 120.0 nM 426.48 COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3cnnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL992588 cell-based format
CHEMBL113185 OBDepict NH 2 N H N N N N H O O CH 3 O CH 3 CH 3 IC50 = 125.0 nM 396.45 COc1cc(Nc2nccc(-c3ccc(NCCN)nc3)n2)cc(OC)c1OC Homo sapiens CHEMBL824029 single protein format
CHEMBL573488 OBDepict CH 3 N H N O N H CH 3 N N N H Cl S N H O O H 3 C CH 3 IC50 = 130.0 nM 560.12 CCNC1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)NC(C)C)n3)c(OC)c2)C1 Homo sapiens CHEMBL1037893 cell-based format
CHEMBL3262356 OBDepict O N H N N HN NH N H H H H 2 N IC50 = 133.0 nM 389.46 N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 Homo sapiens CHEMBL3268710 single protein format
CHEMBL465099 OBDepict CH 3 O NH O CH 3 N N H N O NH 2 N F F IC50 = 150.0 nM 454.44 COc1cc(Nc2nc(NCc3ccc(F)cc3F)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL465463 OBDepict H 3 C O NH O H 3 C N N H N O NH 2 N S O O NH 2 IC50 = 150.0 nM 497.54 COc1cc(Nc2nc(NCc3ccc(S(N)(=O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL458806 OBDepict H 3 C O N H O H 3 C N NH N O NH 2 N NH 2 H 3 C H 3 C IC50 = 160.0 nM 475.55 COc1cc(Nc2nc(NCC(C)(C)N)n3cc(-c4ccccc4)nc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL992588 cell-based format
CHEMBL584758 OBDepict CH 3 O N H N N N N N H H 3 C CH 3 Cl S HN O O CH 3 CH 3 IC50 = 170.0 nM 560.12 COc1cc(N2CCC(N(C)C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 Homo sapiens CHEMBL1037893 cell-based format
CHEMBL481182 OBDepict CH 3 O NH O CH 3 N N H N O NH 2 N O HO IC50 = 180.0 nM 462.47 COc1cc(Nc2nc(NCc3ccc(C(=O)O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL419757 OBDepict CH 3 O O NH H 3 C O H 3 C N N N N HN H CH 3 H 3 C IC50 = 188.0 nM 464.57 COc1cc(Nc2nccc(-c3ccc(N4CCN[C@@H](C(C)C)C4)nc3)n2)cc(OC)c1OC Homo sapiens CHEMBL824029 single protein format
CHEMBL465464 OBDepict H 3 C O NH O H 3 C N N H N O NH 2 N S O O CH 3 IC50 = 190.0 nM 496.55 COc1cc(Nc2nc(NCc3ccc(S(C)(=O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL575052 OBDepict H 3 C O N H N N N N H O NH 2 Br S N H O O H 3 C IC50 = 200.0 nM 590.5 CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCCC(C(N)=O)C3)cc2OC)ncc1Br Homo sapiens CHEMBL1037893 cell-based format
CHEMBL465462 OBDepict CH 3 O O HN CH 3 N NH N O NH 2 N N N H IC50 = 200.0 nM 458.48 COc1cc(Nc2nc(NCc3nc4ccccc4[nH]3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL559787 OBDepict O N H N N H HO H OH IC50 = 200.0 nM 397.43 O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C[C@@H](O)[C@@H](O)C3 Homo sapiens CHEMBL1053842 single protein format
CHEMBL463876 OBDepict CH 3 O NH O CH 3 N N H N O NH 2 N F IC50 = 220.0 nM 436.45 COc1cc(Nc2nc(NCc3ccc(F)cc3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL3642592 OBDepict CH 3 N N N N H N O H CH 3 N O H CH 3 IC50 = 220.0 nM 442.52 Cc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCO[C@H](C)C4)c(C)c3)n2)cn1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL485204 OBDepict CH 3 O N H O CH 3 N HN N O H 2 N N H H H 2 N IC50 = 230.0 nM 425.49 COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL992588 cell-based format
CHEMBL464043 OBDepict H 3 C O N H N N NH N O NH 2 O O CH 3 H 3 C IC50 = 230.0 nM 448.48 COc1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL3642589 OBDepict CH 3 O N N N H N O H O IC50 = 237.0 nM 428.49 COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCOCC4)cc3)n2)c1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL512172 OBDepict HO NH H 3 C H O S H 3 C N N N N H CH 3 CH 3 Ki = 240.0 nM 397.5 Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(C(=O)N[C@@H](C)CO)s3)n2)c1 Homo sapiens CHEMBL945313 single protein format
CHEMBL479820 OBDepict CH 3 O HN O CH 3 N N H N O NH 2 N O OH IC50 = 240.0 nM 476.49 COc1cc(Nc2nc(NCc3ccc(CC(=O)O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL512190 OBDepict CH 3 O NH O CH 3 N N H N O NH 2 N N IC50 = 250.0 nM 419.45 COc1cc(Nc2nc(NCc3ccncc3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL3416026 OBDepict H 2 N O N N N HN N H N H H H H 2 N IC50 = 251.0 nM 366.43 NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2cc[nH]c12 Homo sapiens CHEMBL3419164 single protein format
CHEMBL511670 OBDepict HO S N N N N H CH 3 CH 3 Ki = 270.0 nM 312.4 Cc1cc(C)cc(Nc2nccc(-c3ncc(CO)s3)n2)c1 Homo sapiens CHEMBL945313 single protein format
CHEMBL3642581 OBDepict O N H N N H Br N O IC50 = 277.0 nM 401.26 O=c1[nH]ccc2c(Br)cnc(Nc3ccc(N4CCOCC4)cc3)c12 Homo sapiens CHEMBL3705049 single protein format
CHEMBL575266 OBDepict H 3 C O N H N N N O N H Cl S O O CH 3 IC50 = 280.0 nM 489.99 COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1 Homo sapiens CHEMBL1037893 cell-based format
CHEMBL3642594 OBDepict CH 3 N N N N N H N O H N O IC50 = 292.0 nM 479.54 Cc1cn(-c2cccc(-c3cc4cc[nH]c(=O)c4c(Nc4ccc(N5CCOCC5)cc4)n3)n2)cn1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL584148 OBDepict H 3 C O N H O N N N H N Cl H 3 C S NH O O H 3 C CH 3 IC50 = 300.0 nM 575.13 COc1cc(OCC2CCCN(C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 Homo sapiens CHEMBL1037893 cell-based format
CHEMBL472478 OBDepict CH 3 O NH O CH 3 N N N S Ki = 318.0 nM 314.37 COc1cc(Nc2nccc(-c3nccs3)n2)cc(OC)c1 Homo sapiens CHEMBL945313 single protein format
CHEMBL3642597 OBDepict H 3 C S HN O O NH 2 N N H N O H N O IC50 = 324.0 nM 506.59 Cc1cccc(Nc2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)c1S(N)(=O)=O Homo sapiens CHEMBL3705049 single protein format
CHEMBL475575 OBDepict CH 3 O N H O CH 3 N HN N O H 2 N N N H H H 2 N IC50 = 330.0 nM 426.48 COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL992588 cell-based format
CHEMBL112561 OBDepict CH 3 O O NH H 3 C O H 3 C N N N N IC50 = 332.0 nM 421.5 COc1cc(Nc2nccc(-c3ccc(N4CCCCC4)nc3)n2)cc(OC)c1OC Homo sapiens CHEMBL824029 single protein format
CHEMBL3262624 OBDepict O N H N HN NH N H H H H 2 N O IC50 = 340.0 nM 390.45 N[C@H]1COCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 Homo sapiens CHEMBL3268710 single protein format
CHEMBL517011 OBDepict CH 3 O O NH CH 3 N N H N O NH 2 N O CH 3 IC50 = 340.0 nM 448.48 COc1cc(Nc2nc(NCc3ccccc3OC)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL3262623 OBDepict O N H N N H NH N H H H NH 2 Cl IC50 = 350.0 nM 422.92 N[C@H]1CCCC[C@H]1Nc1cc2cc[nH]c(=O)c2c(Nc2cccc3c(Cl)c[nH]c23)n1 Homo sapiens CHEMBL3268710 single protein format
CHEMBL3262617 OBDepict O N H N N HN NH N H H H H 2 N O IC50 = 375.0 nM 391.44 N[C@H]1COCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 Homo sapiens CHEMBL3268710 single protein format
CHEMBL323755 OBDepict CH 3 O O NH H 3 C O H 3 C N N N N HN H H 3 C IC50 = 396.0 nM 436.52 COc1cc(Nc2nccc(-c3ccc(N4CCN[C@H](C)C4)nc3)n2)cc(OC)c1OC Homo sapiens CHEMBL824029 single protein format
CHEMBL3642580 OBDepict H 2 N HN N N H N O H F F F IC50 = 398.0 nM 363.34 NCCNc1cc2cc[nH]c(=O)c2c(Nc2cccc(C(F)(F)F)c2)n1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL281957 OBDepict CH 3 N CH 3 N CH 3 HO N N H 3 C N H Cl Cl IC50 = 400.0 nM 484.43 CCN(CC)C/C=C/c1nc(O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1C Homo sapiens CHEMBL824035 single protein format
CHEMBL574839 OBDepict CH 3 O N H N N N N N H CH 3 Cl O CH 3 S HN O O CH 3 CH 3 IC50 = 400.0 nM 588.13 COc1cc(N2CCC(N(C)C(C)=O)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 Homo sapiens CHEMBL1037893 cell-based format
CHEMBL520608 OBDepict CH 3 O NH O CH 3 N N H N O NH 2 N IC50 = 400.0 nM 418.46 COc1cc(Nc2nc(NCc3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL470780 OBDepict H 3 C S N N N N H CH 3 CH 3 Ki = 410.0 nM 296.4 Cc1cc(C)cc(Nc2nccc(-c3ncc(C)s3)n2)c1 Homo sapiens CHEMBL945313 single protein format
CHEMBL481397 OBDepict CH 3 O HN O CH 3 N N H N O NH 2 N H 3 C H IC50 = 410.0 nM 432.48 COc1cc(Nc2nc(N[C@H](C)c3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL509161 OBDepict CH 3 N H CH 3 N N N S Ki = 419.1 nM 282.37 Cc1cc(C)cc(Nc2nccc(-c3nccs3)n2)c1 Homo sapiens CHEMBL945313 single protein format
CHEMBL465471 OBDepict H 3 C O NH O CH 3 N N H N O NH 2 N O O H 3 C IC50 = 420.0 nM 476.49 COC(=O)c1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL3642582 OBDepict CH 3 N N N N H N O H N O IC50 = 421.0 nM 402.46 Cn1cc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3c(=O)[nH]ccc23)cn1 Homo sapiens CHEMBL3705049 single protein format
CHEMBL324576 OBDepict CH 3 O O NH H 3 C O H 3 C N N N N O IC50 = 424.0 nM 423.47 COc1cc(Nc2nccc(-c3ccc(N4CCOCC4)nc3)n2)cc(OC)c1OC Homo sapiens CHEMBL824029 single protein format
CHEMBL3262618 OBDepict O N H N N N H HN N H NH 2 CH 3 H IC50 = 445.0 nM 349.4 C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 Homo sapiens CHEMBL3268710 single protein format
CHEMBL511811 OBDepict HO N S N N N H CH 3 CH 3 Ki = 450.0 nM 312.4 Cc1cc(C)cc(Nc2nccc(-c3nc(CO)cs3)n2)c1 Homo sapiens CHEMBL945313 single protein format
CHEMBL3639414 OBDepict Cl N N H N O H N O IC50 = 475.0 nM 432.91 O=c1[nH]ccc2cc(-c3ccccc3Cl)nc(Nc3ccc(N4CCOCC4)cc3)c12 Homo sapiens CHEMBL3705049 single protein format
CHEMBL459146 OBDepict CH 3 N H CH 3 N HN N O H 2 N N H H H 2 N IC50 = 480.0 nM 393.5 Cc1cc(C)cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)c1 Homo sapiens CHEMBL992588 cell-based format
CHEMBL479821 OBDepict CH 3 O HN O CH 3 N N H N O NH 2 N O NH 2 IC50 = 480.0 nM 475.51 COc1cc(Nc2nc(NCc3ccc(CC(N)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1 Homo sapiens CHEMBL1020472 cell-based format
CHEMBL516852 OBDepict CH 3 O N H N N HN N O H 2 N O O CH 3 CH 3 IC50 = 530.0 nM 448.48 COc1cccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)c1 Homo sapiens CHEMBL1020472 cell-based format