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P12931 | SRC_HUMAN | Proto-oncogene tyrosine-protein kinase Src (SRC)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "SH2" // SH2 ]

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[ Domain: "SH3" // SH3_1 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -36400.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804382 cell-based format
CHEMBL4868141 OBDepict H 2 N N O O HN NH S O O IC50 = -8400.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804382 cell-based format
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -2000.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804382 cell-based format
CHEMBL1241676 OBDepict Cl HO N N H 2 N N N IC50 = 0.12 nM 329.79 Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C1CCCC1 Homo sapiens CHEMBL1243974 single protein format
CHEMBL196797 OBDepict CH 3 O O N N N H N O CH 3 O H 3 C Cl IC50 = 0.15 nM 533.03 COc1cc(Nc2c(C#N)cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)c(C)cc1Cl Homo sapiens CHEMBL881508 single protein format
CHEMBL3976548 OBDepict OH N Cl N NH 2 O N H IC50 = 0.18 nM 352.78 Nc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1cc(O)ccc1Cl Homo sapiens CHEMBL3861875 single protein format
CHEMBL281957 OBDepict CH 3 N CH 3 N CH 3 HO N N H 3 C N H Cl Cl IC50 = 0.2 nM 484.43 CCN(CC)C/C=C/c1nc(O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1C Homo sapiens CHEMBL808766 single protein format
CHEMBL425389 OBDepict CH 3 O O N N N H N O O O H 3 C O H 3 C CH 3 IC50 = 0.22 nM 544.61 COc1cc2cc3c(Nc4cc(OC)c(OC)c(OC)c4)c(C#N)cnc3cc2cc1OCCN1CCOCC1 Homo sapiens CHEMBL881508 single protein format
CHEMBL454358 OBDepict H 3 C CH 3 N N N N N N H O P O H 3 C CH 3 IC50 < 0.23 nM 502.56 Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(N3CCOCC3)nc21 Homo sapiens CHEMBL976274 single protein format
CHEMBL509941 OBDepict H 3 C N N N N N H N N P H 3 C CH 3 O H 3 C CH 3 IC50 < 0.23 nM 515.6 Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(N3CCN(C)CC3)nc21 Homo sapiens CHEMBL976274 single protein format
CHEMBL4474070 OBDepict NH 2 O O N N N CH 3 N HN N S N H O H 3 C Cl Ki = 0.261 nM 575.14 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOCCOCCN)CC2)n1 Homo sapiens CHEMBL4312056 assay format
CHEMBL198650 OBDepict CH 3 O O N N N H N N Cl CH 3 O H 3 C Cl IC50 = 0.29 nM 566.49 COc1cc(Nc2c(C#N)cnc3cc4cc(OCCN5CCN(C)CC5)c(OC)cc4cc23)c(Cl)cc1Cl Homo sapiens CHEMBL881508 single protein format
CHEMBL1421 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl Ki = 0.295 nM 488.02 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL4312056 assay format
CHEMBL196889 OBDepict CH 3 O O N N N H N N CH 3 CH 3 O H 3 C Cl IC50 = 0.31 nM 546.07 COc1cc(Nc2c(C#N)cnc3cc4cc(OCCN5CCN(C)CC5)c(OC)cc4cc23)c(C)cc1Cl Homo sapiens CHEMBL881508 single protein format
CHEMBL370633 OBDepict CH 3 O O N N N H N O Cl O H 3 C H 3 C IC50 = 0.33 nM 533.03 COc1cc(Nc2c(C#N)cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)c(Cl)cc1C Homo sapiens CHEMBL881508 single protein format
CHEMBL3984621 OBDepict HO N Cl N H 2 N O N H N O IC50 = 0.43 nM 451.91 Nc1c(C(=O)c2cc3cc(CN4CCOCC4)ccc3[nH]2)cnn1-c1cc(O)ccc1Cl Homo sapiens CHEMBL3861875 single protein format
CHEMBL4538000 OBDepict CH 3 N N N H N N S NH N H O CH 3 Cl Ki = 0.449 nM 443.96 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCNCC2)n1 Homo sapiens CHEMBL4312056 assay format
CHEMBL1089405 OBDepict OH N N N N N H P O CH 3 CH 3 IC50 = 0.45 nM 475.53 CP(C)(=O)c1ccc(Nc2nc(C3CCCC3)nc3c2ncn3CCc2cccc(O)c2)cc1 Homo sapiens CHEMBL1114553 single protein format
CHEMBL195029 OBDepict CH 3 O O N N N H N O Cl O H 3 C Cl IC50 = 0.46 nM 553.45 COc1cc(Nc2c(C#N)cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)c(Cl)cc1Cl Homo sapiens CHEMBL881508 single protein format
CHEMBL510893 OBDepict H 3 C N N N H N N N N H P O H 3 C CH 3 IC50 < 0.46 nM 443.45 Cc1ccc2[nH]ncc2c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)ncnc21 Homo sapiens CHEMBL976274 single protein format
CHEMBL517256 OBDepict N N N N H N N P CH 3 H 3 C O H 3 C CH 3 IC50 < 0.46 nM 470.52 Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(CCC#N)nc21 Homo sapiens CHEMBL976274 single protein format
CHEMBL518166 OBDepict H 3 C CH 3 N N N O N N H N P O H 3 C CH 3 IC50 < 0.46 nM 510.54 Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(Oc3cccnc3)nc21 Homo sapiens CHEMBL976274 single protein format
CHEMBL461768 OBDepict H 3 C N N N N H N N P H 3 C CH 3 O H 3 C CH 3 IC50 < 0.46 nM 514.61 Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(C3CCN(C)CC3)nc21 Homo sapiens CHEMBL976274 single protein format
CHEMBL461767 OBDepict CH 3 O O N N N H N N P H 3 C CH 3 O H 3 C CH 3 IC50 < 0.46 nM 491.53 COCCOc1nc(Nc2ccc(P(C)(C)=O)cc2)c2ncn(/C=C/c3c(C)cccc3C)c2n1 Homo sapiens CHEMBL976274 single protein format
CHEMBL516498 OBDepict H 3 C O CH 3 N N N H N N P CH 3 H 3 C O H 3 C CH 3 IC50 < 0.46 nM 475.53 Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(OC(C)C)nc21 Homo sapiens CHEMBL976274 single protein format
CHEMBL509002 OBDepict CH 3 O N N NH N N P CH 3 CH 3 O CH 3 CH 3 IC50 < 0.46 nM 447.48 COc1nc(Nc2ccc(P(C)(C)=O)cc2)c2ncn(/C=C/c3c(C)cccc3C)c2n1 Homo sapiens CHEMBL976274 single protein format
CHEMBL455384 OBDepict H 3 C CH 3 N N N N N N H N P O H 3 C CH 3 IC50 < 0.46 nM 483.52 Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(-n3ccnc3)nc21 Homo sapiens CHEMBL976274 single protein format
CHEMBL198868 OBDepict CH 3 O O N N N H N O Cl O H 3 C F IC50 = 0.48 nM 536.99 COc1cc(Nc2c(C#N)cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)c(Cl)cc1F Homo sapiens CHEMBL881508 single protein format
CHEMBL1421 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl IC50 = 0.5 nM 488.02 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL910556 single protein format
CHEMBL3216659 OBDepict Br N H O NH N O N HN ClH ClH IC50 < 0.5 nM 541.28 Cl.Cl.O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=NOCCN1CCNCC1 Homo sapiens CHEMBL4042011 single protein format
CHEMBL3824233 OBDepict CH 3 O N H N O O N NH 2 N N CH 3 H 3 C CH 3 N N IC50 < 0.5 nM 536.68 COc1cc(-c2nn(CCN3CCC(N4CCCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C Homo sapiens CHEMBL3824531 cell-based format
CHEMBL494867 OBDepict OH HO N H 3 C O N N H O NH Br IC50 < 0.5 nM 487.35 CN(CCO/N=C1C(=C2/C(=O)Nc3cc(Br)ccc32)/Nc2ccccc2/1)CC(O)CO Homo sapiens CHEMBL4042011 single protein format
CHEMBL3824089 OBDepict CH 3 O N H N O O N NH 2 N N CH 3 H 3 C CH 3 N N H 3 C CH 3 IC50 < 0.5 nM 510.64 COc1cc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C Homo sapiens CHEMBL3824531 cell-based format
CHEMBL3639501 OBDepict CH 3 N O N N H N N N H 3 C Cl F OH IC50 = 0.542 nM 535.02 Cc1cc(-c2c(Cl)ccc(O)c2F)cc2nnc(Nc3ccc(C(=O)N(C)CCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL3705261 single protein format
CHEMBL1242568 OBDepict F HO N N H 2 N N N IC50 = 0.55 nM 313.34 Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1CCCC1 Homo sapiens CHEMBL1243974 single protein format
CHEMBL436486 OBDepict CH 3 O O N N N H N Cl OH O H 3 C H 3 C IC50 = 0.55 nM 547.06 COc1cc(Nc2c(C#N)cnc3cc4cc(OCCN5CCC(O)CC5)c(OC)cc4cc23)c(Cl)cc1C Homo sapiens CHEMBL881508 single protein format
CHEMBL178787 OBDepict H 3 C O N N H N Cl + N O _ O CH 3 Cl IC50 = 0.6 nM 493.35 COc1cc(Nc2c(C#N)cnc3cc(/C=C/c4cc[n+]([O-])cc4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL832714 single protein format
CHEMBL3823104 OBDepict CH 3 O N H N O O N NH 2 N N CH 3 H 3 C CH 3 N N IC50 = 0.6 nM 550.71 COc1cc(-c2nn(CCN3CCC(N4CCCCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C Homo sapiens CHEMBL3824531 cell-based format
CHEMBL591325 OBDepict H 3 C N CH 3 O N H N N O H 2 N O IC50 = 0.6 nM 483.57 CN(C)CCOc1ccc2c(c1)CCn1nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c1N2 Homo sapiens CHEMBL1049478 single protein format
CHEMBL495306 OBDepict OH HO N H 3 C O N N H O NH Br ClH IC50 = 0.61 nM 523.82 CN(CCO/N=C1C(=C2/C(=O)Nc3cc(Br)ccc32)/Nc2ccccc2/1)CC(O)CO.Cl Homo sapiens CHEMBL4042011 single protein format
CHEMBL424262 OBDepict CH 3 O O N N H N N Cl O H 3 C Cl OH IC50 = 0.64 nM 531.44 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCC(O)CC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL818278 single protein format
CHEMBL197713 OBDepict CH 3 O O N N N H N N CH 3 O O H 3 C O H 3 C CH 3 IC50 = 0.69 nM 557.65 COc1cc2cc3c(Nc4cc(OC)c(OC)c(OC)c4)c(C#N)cnc3cc2cc1OCCN1CCN(C)CC1 Homo sapiens CHEMBL881508 single protein format
CHEMBL250821 OBDepict Cl F OH CH 3 N N N N H S HN O O N IC50 = 0.7 nM 557.05 Cc1cc(-c2c(Cl)ccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL3705261 single protein format
CHEMBL197744 OBDepict CH 3 O O N N N H N Cl OH O H 3 C Cl IC50 = 0.72 nM 567.47 COc1cc(Nc2c(C#N)cnc3cc4cc(OCCN5CCC(O)CC5)c(OC)cc4cc23)c(Cl)cc1Cl Homo sapiens CHEMBL881508 single protein format
CHEMBL219964 OBDepict CH 3 O N N H O N N Cl CH 3 H 3 C O H 3 C Cl IC50 = 0.75 nM 497.38 COc1cc(Nc2c(C#N)cnc3cc(-c4coc(CN(C)C)c4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL911086 single protein format
CHEMBL338194 OBDepict OH N N O O N H 3 C N H N Cl O H 3 C Cl IC50 = 0.76 nM 560.48 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(CCO)CC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL818278 single protein format
CHEMBL130529 OBDepict CH 3 N N O O N CH 3 NH N Cl O H 3 C Cl IC50 = 0.77 nM 544.48 CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1 Homo sapiens CHEMBL818278 single protein format
CHEMBL219557 OBDepict CH 3 O N N H O N N Cl O H 3 C Cl N CH 3 IC50 = 0.78 nM 552.46 COc1cc(Nc2c(C#N)cnc3cc(-c4coc(CN5CCN(C)CC5)c4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL911086 single protein format
CHEMBL3824089 OBDepict CH 3 O N H N O O N NH 2 N N CH 3 H 3 C CH 3 N N H 3 C CH 3 Ki = 0.8 nM 510.64 COc1cc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C Homo sapiens CHEMBL3824738 cell-based format
CHEMBL131725 OBDepict H 3 C O O N N H N N Cl O CH 3 Cl O IC50 = 0.8 nM 517.41 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL818278 single protein format
CHEMBL3695571 OBDepict CH 3 O N N NH H 3 C CH 3 H 3 C NH O N O N N H N O H IC50 = 0.8 nM 564.61 COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ncccc23)cc1 Homo sapiens CHEMBL3707502 single protein format
CHEMBL493657 OBDepict HO O N N O N HN O N H Br IC50 = 0.83 nM 556.46 O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=NOCCN1CCN(CCOCCO)CC1 Homo sapiens CHEMBL4042011 single protein format
CHEMBL459877 OBDepict CH 3 H 3 C N N HN N N P H 3 C H 3 C O CH 3 CH 3 IC50 = 0.89 nM 459.53 Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(C(C)C)nc21 Homo sapiens CHEMBL976274 single protein format
CHEMBL3695570 OBDepict O HN N H N N N CH 3 CH 3 H 3 C O N N H N O H IC50 = 0.9 nM 534.58 CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ncccc23)n(-c2ccccc2)n1 Homo sapiens CHEMBL3707502 single protein format
CHEMBL128705 OBDepict H 3 C O O N N H N N Br O CH 3 Cl O IC50 = 0.95 nM 561.86 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(Br)cc1Cl Homo sapiens CHEMBL818278 single protein format
CHEMBL3651288 OBDepict OH H 3 C H 3 C N N N N H S HN O O N IC50 = 0.955 nM 518.64 Cc1ccc(O)cc1-c1cc(C)c2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2c1 Homo sapiens CHEMBL3705261 single protein format
CHEMBL3823620 OBDepict O O CH 3 H 3 C CH 3 N N NH 2 N N N N H 3 C CH 3 IC50 = 1.0 nM 479.63 CN(C)C1CCN(CCn2nc(-c3ccc(CC(=O)OC(C)(C)C)cc3)c3c(N)ncnc32)CC1 Homo sapiens CHEMBL3824531 cell-based format
CHEMBL262276 OBDepict CH 3 O O N N N N H 2 N HO IC50 < 1.0 nM 381.44 COC(=O)CN1CCC(n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1 Homo sapiens CHEMBL822437 single protein format
CHEMBL169780 OBDepict OH N N N N H 2 N OH IC50 = 1.0 nM 353.43 Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCN(CCO)CC1 Homo sapiens CHEMBL822437 single protein format
CHEMBL364623 OBDepict CH 3 N N H N H 3 C N S N H O H 3 C Cl IC50 < 1.0 nM 373.87 Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(C)n1 Homo sapiens CHEMBL829352 single protein format
CHEMBL3824116 OBDepict CH 3 O N O O N NH 2 N N CH 3 H 3 C CH 3 N N H 3 C CH 3 IC50 = 1.0 nM 509.66 COc1cc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)ccc1CC(=O)OC(C)(C)C Homo sapiens CHEMBL3824531 cell-based format
CHEMBL4855726 OBDepict OH N N HN N N N H CH 3 N S NH O Cl H 3 C N IC50 = 1.0 nM 504.02 Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)ccnc3C)s2)cc(NN2CCN(CCO)CC2)n1 Homo sapiens CHEMBL4807586 single protein format
CHEMBL263528 OBDepict NH 2 O N N N N H 2 N HO IC50 = 1.0 nM 366.43 NC(=O)CN1CCC(n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1 Homo sapiens CHEMBL822437 single protein format
CHEMBL3658098 OBDepict OH NH O N H N N N CH 3 N H O F F F IC50 = 1.0 nM 590.61 Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(C(=O)NCCO)cc3)ncc2C1 Homo sapiens CHEMBL3707611 single protein format
CHEMBL3658102 OBDepict O HN N CH 3 N N N H O N IC50 = 1.0 nM 554.74 Cc1ccc(NC(=O)CC2CCCC2)cc1N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1 Homo sapiens CHEMBL3707611 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 1.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL805368 single protein format
CHEMBL3658101 OBDepict O N HN N CH 3 N N N H O N IC50 = 1.0 nM 555.73 Cc1ccc(NC(=O)N2CCCCC2)cc1N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1 Homo sapiens CHEMBL3707611 single protein format
CHEMBL1242656 OBDepict H 3 C N N N N NH 2 OH F IC50 = 1.0 nM 327.36 CC1CCC(n2nc(-c3ccc(F)c(O)c3)c3c(N)ncnc32)C1 Homo sapiens CHEMBL1243974 single protein format
CHEMBL1762530 OBDepict HO N CH 3 CH 3 N N N H N N O O IC50 < 1.0 nM 490.61 Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1 Homo sapiens CHEMBL1763676 single protein format
CHEMBL442485 OBDepict CH 3 O N O O O N H 3 C N N H CH 3 H 3 C N N CH 3 IC50 = 1.0 nM 568.68 COc1ccc(OC)c(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c1 Homo sapiens CHEMBL870978 single protein format
CHEMBL3651286 OBDepict Cl F OH CH 3 N N N N H S O O N IC50 = 1.0 nM 556.06 Cc1cc(-c2c(Cl)ccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL3705261 single protein format
CHEMBL1241481 OBDepict CH 3 O NH N O O N NH 2 N N H 3 C H 3 C CH 3 H 3 C CH 3 IC50 < 1.0 nM 398.47 COc1cc(-c2nn(C(C)C)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C Homo sapiens CHEMBL1243974 single protein format
CHEMBL129209 OBDepict H 3 C O O N N H N N Cl O CH 3 CH 3 O IC50 = 1.1 nM 497.0 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(Cl)cc1C Homo sapiens CHEMBL818278 single protein format
CHEMBL3651285 OBDepict Cl Cl OH H 3 C N N N N H O N IC50 = 1.1 nM 510.43 Cc1cc(-c2c(Cl)ccc(O)c2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL3705261 single protein format
CHEMBL194969 OBDepict CH 3 O O N N HN N N H 3 C Cl O CH 3 Cl IC50 = 1.1 nM 566.49 COc1cc(Nc2c(C#N)cnc3cc4cc(OC)c(OCCN5CCN(C)CC5)cc4cc23)c(Cl)cc1Cl Homo sapiens CHEMBL881508 single protein format
CHEMBL128158 OBDepict H 3 C O O N N H N N Cl O CH 3 Cl N H IC50 = 1.1 nM 516.43 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCNCC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL818278 single protein format
CHEMBL129143 OBDepict CH 3 N N O O N H 3 C N H N Cl O H 3 C Cl IC50 = 1.1 nM 558.51 CCCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1 Homo sapiens CHEMBL818278 single protein format
CHEMBL566515 OBDepict H 3 C O N N N H 3 C N OH H 3 C O N O H IC50 = 1.14 nM 417.43 COc1ccccc1-n1c(-c2cc(O)ccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 Homo sapiens CHEMBL2344637 single protein format
CHEMBL194352 OBDepict CH 3 O O N N NH O N O O H 3 C O H 3 C H 3 C IC50 = 1.2 nM 544.61 COc1cc2cc3ncc(C#N)c(Nc4cc(OC)c(OC)c(OC)c4)c3cc2cc1OCCN1CCOCC1 Homo sapiens CHEMBL881508 single protein format
CHEMBL334364 OBDepict H 3 C O O N N H N N Cl O CH 3 Cl IC50 = 1.2 nM 515.44 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCCCC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL818278 single protein format
CHEMBL423696 OBDepict H 3 C O O N N H N N CH 3 O CH 3 Cl O IC50 = 1.2 nM 497.0 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(C)cc1Cl Homo sapiens CHEMBL818278 single protein format
CHEMBL3651262 OBDepict OH Cl Cl N N N N H O N IC50 = 1.2 nM 496.4 Oc1ccc(Cl)c(-c2cc3nnc(Nc4ccc(OCCN5CCCC5)cc4)nc3cc2Cl)c1 Homo sapiens CHEMBL3705261 single protein format
CHEMBL3651292 OBDepict Cl F OH CH 3 N N N N H S N O O H 3 C N IC50 = 1.2 nM 571.08 Cc1cc(-c2c(Cl)ccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL3705261 single protein format
CHEMBL460074 OBDepict H 3 C CH 3 N N N N N H P O H 3 C CH 3 IC50 = 1.29 nM 485.57 Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(C3CCCC3)nc21 Homo sapiens CHEMBL976274 single protein format
CHEMBL400402 OBDepict OH Cl H 3 C N N N N H O N Ki = 1.3 nM 475.98 Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL923937 single protein format
CHEMBL2336005 OBDepict OH NH S N N O IC50 = 1.3 nM 417.53 Oc1cccc(Nc2ccnc3cc(-c4cccc(CN5CCOCC5)c4)sc23)c1 Homo sapiens CHEMBL3705393 cell membrane format
CHEMBL288441 OBDepict CH 3 O O N N H N N Cl O H 3 C Cl N CH 3 IC50 = 1.3 nM 530.46 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL882727 single protein format
CHEMBL128612 OBDepict H 3 C O O N N H N Cl N O CH 3 Cl O IC50 = 1.3 nM 531.44 COc1cc(Nc2c(C#N)cnc3cc(OCCCCN4CCOCC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL818278 single protein format
CHEMBL418652 OBDepict N N N H Cl O H 3 C Cl S N OH IC50 = 1.4 nM 539.49 COc1cc(Nc2c(C#N)cnc3cc(-c4csc(CN5CCC(O)CC5)c4)ccc23)c(Cl)cc1Cl Homo sapiens CHEMBL806425 single protein format
CHEMBL335025 OBDepict CH 3 O O CH 3 N N H N CH 3 O H 3 C Cl IC50 = 1.4 nM 433.9 COc1cc(Nc2c(C#N)cnc3cc4cc(OC)c(OC)cc4cc23)c(C)cc1Cl Homo sapiens CHEMBL805364 single protein format
CHEMBL340914 OBDepict CH 3 O O N N H N N Cl O CH 3 Cl CH 3 N H 3 C CH 3 IC50 = 1.4 nM 558.51 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CC(C)N(C)C(C)C4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL818278 single protein format
CHEMBL290921 OBDepict CH 3 O O N N H N Cl O H 3 C Cl N CH 3 IC50 = 1.4 nM 529.47 COc1cc(Nc2c(C#N)cnc3cc(OCCCC4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL806435 single protein format
CHEMBL128326 OBDepict CH 3 O O N N H N N Cl O CH 3 Cl N H 3 C IC50 = 1.4 nM 544.48 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL818278 single protein format
CHEMBL451790 OBDepict H 3 C CH 3 N N N N N N H P O H 3 C CH 3 IC50 = 1.43 nM 486.56 Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(N3CCCC3)nc21 Homo sapiens CHEMBL976274 single protein format
CHEMBL4869199 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl N IC50 < 1.5 nM 489.01 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cncc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL4807586 single protein format
CHEMBL4865214 OBDepict OH N N N N N H CH 3 N S N H O N CH 3 IC50 < 1.5 nM 454.56 Cc1nc(Nc2ncc(C(=O)Nc3ncccc3C)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL4807586 single protein format
CHEMBL124333 OBDepict CH 3 O O O N H 3 C N H N Cl O H 3 C Cl IC50 = 1.5 nM 448.31 COCCOc1cc2ncc(C#N)c(Nc3cc(OC)c(Cl)cc3Cl)c2cc1OC Homo sapiens CHEMBL806435 single protein format
CHEMBL276934 OBDepict CH 3 O N N H O N N Cl O H 3 C Cl O IC50 = 1.5 nM 539.42 COc1cc(Nc2c(C#N)cnc3cc(-c4coc(CN5CCOCC5)c4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL911086 single protein format
CHEMBL4872654 OBDepict OH N N N N N H CH 3 N S N H O CH 3 N IC50 < 1.5 nM 454.56 Cc1nc(Nc2ncc(C(=O)Nc3cccnc3C)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL4807586 single protein format
CHEMBL400303 OBDepict Cl Cl OH CH 3 N N N N H S HN O O N IC50 = 1.5 nM 573.51 Cc1cc(-c2c(Cl)ccc(O)c2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL3705261 single protein format