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P25103 | NK1R_HUMAN | Substance-P receptor (TACR1)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1 ]

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[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

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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
CHEMBL277004 OBDepict HO N N H O F F F F F F IC50 = 0.0001 nM 504.43 O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(CO)nc2ccccc2c1-c1ccccc1 Homo sapiens CHEMBL812542 cell-based format
CHEMBL24135 OBDepict NH 2 N N H O F F F F F F IC50 = 0.0017 nM 503.45 NCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL812542 cell-based format
CHEMBL281797 OBDepict Br N N H O F F F F F F IC50 = 0.01 nM 567.33 O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(CBr)nc2ccccc2c1-c1ccccc1 Homo sapiens CHEMBL812542 cell-based format
CHEMBL26761 OBDepict H 3 C N H N HN O F F F F F F IC50 = 0.011 nM 517.47 CNCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL812542 cell-based format
CHEMBL3215877 OBDepict H 3 C O N H O H F F F H N H ClH ClH IC50 = 0.012 nM 453.33 COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl Homo sapiens CHEMBL1918309 cell-based format
CHEMBL1092755 OBDepict F H N H O O CH 3 H F F F F F F IC50 = 0.013 nM 487.42 C[C@@H](O[C@H]1CN2C(=O)C=CCC2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110594 cell-based format
CHEMBL1951813 OBDepict F CH 3 H N H N O O H 3 C O NH 2 CH 3 H F F F F F F IC50 = 0.017 nM 561.5 Cc1cc(F)ccc1[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C(=O)N(C)[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1954993 cell-based format
CHEMBL212428 OBDepict H 2 N O CH 3 H F F F F F F Ki = 0.02 nM 417.39 C[C@@H](OCC1(c2ccccc2)CC(N)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL869696 cell-based format
CHEMBL1951810 OBDepict F CH 3 H N H N O O CH 3 O H 2 N F F F F F F IC50 = 0.02 nM 547.47 Cc1cc(F)ccc1[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1954993 cell-based format
CHEMBL1917866 OBDepict CH 3 O HN N N H N N H F F F N O N H O CH 3 ClH IC50 = 0.025 nM 596.05 COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)CCCNC(C)=O)C[C@H]1c1ccccc1.Cl Homo sapiens CHEMBL1918309 cell-based format
CHEMBL3651891 OBDepict F H N H N CH 3 O N O H 3 C N Cl Cl O CH 3 IC50 = 0.029 nM 549.47 CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(Cl)cc(Cl)c3)[C@H](c3ccc(F)cc3)C2)CC1 Homo sapiens CHEMBL3705166 single protein format
CHEMBL413027 OBDepict CH 3 N O N F F F F F F IC50 = 0.03 nM 488.43 CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc2ccccc2c1-c1ccccc1 Homo sapiens CHEMBL812542 cell-based format
CHEMBL1951633 OBDepict F CH 3 H N H N O O NH 2 CH 3 F F F F F F IC50 = 0.035 nM 519.46 Cc1cc(F)ccc1[C@H]1CN(C(N)=O)CC[C@@H]1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1954993 cell-based format
CHEMBL3651895 OBDepict H N N H 3 C H N O NH O H 3 C F O F F F F F F IC50 = 0.039 nM 590.54 CN(C(=O)N(C)[C@@H]1CN(C(=O)NC2CCOCC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3705166 single protein format
CHEMBL1917853 OBDepict CH 3 NH N O H H N H O N H 3 C N N N F F F ClH IC50 = 0.039 nM 539.99 CCNC(=O)N1CC[C@H](NCc2cc(-n3nnnc3C(F)(F)F)ccc2OC)[C@H](c2ccccc2)C1.Cl Homo sapiens CHEMBL1918309 cell-based format
CHEMBL555572 OBDepict CH 3 O N H N N H N N H N H ClH ClH IC50 = 0.04 nM 437.38 COc1ccc(-n2cnnn2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl Homo sapiens CHEMBL2447076 single protein format
CHEMBL1951631 OBDepict H 3 C N H O N O H H N O H 3 C H 3 C F F F F F F F IC50 = 0.043 nM 575.53 CC(=O)NCC(=O)N1CC[C@H](C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1 Homo sapiens CHEMBL1954993 cell-based format
CHEMBL1917856 OBDepict CH 3 HN N O H H N H O N N N N F F F ClH IC50 = 0.044 nM 566.03 CCNC(=O)N1CC[C@H](NCc2cc(-n3nnnc3C(F)(F)F)ccc2OC2CC2)[C@H](c2ccccc2)C1.Cl Homo sapiens CHEMBL1918309 cell-based format
CHEMBL1951811 OBDepict HO N H O N O H H N O H 3 C CH 3 F F F F F F F IC50 = 0.046 nM 563.47 Cc1cc(F)ccc1[C@H]1CN(C(=O)C(=O)NO)CC[C@@H]1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1954993 cell-based format
CHEMBL1951632 OBDepict H 3 C N H N O H H N O H 3 C H 3 C F F F F F F F IC50 = 0.048 nM 533.49 CNC(=O)N1CC[C@H](C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1 Homo sapiens CHEMBL1954993 cell-based format
CHEMBL1917852 OBDepict H 3 C O HN N N H N N H F F F N O CH 3 ClH IC50 = 0.049 nM 510.95 COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(C)=O)C[C@H]1c1ccccc1.Cl Homo sapiens CHEMBL1918309 cell-based format
CHEMBL99055 OBDepict O N N H N H N H H O F F F F F F IC50 = 0.05 nM 500.44 O=c1[nH]nc(CN2CCC[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1 Homo sapiens CHEMBL807969 cell-based format
CHEMBL1917851 OBDepict CH 3 O N O H H N H O N CH 3 N N N F F F IC50 = 0.054 nM 490.49 COC(=O)N1CC[C@H](NCc2cc(-n3nnnc3C(F)(F)F)ccc2OC)[C@H](c2ccccc2)C1 Homo sapiens CHEMBL1918309 cell-based format
CHEMBL1917865 OBDepict H 3 C O NH N N H N N H F F F N O N H O CH 3 ClH IC50 = 0.054 nM 582.03 COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)CCNC(C)=O)C[C@H]1c1ccccc1.Cl Homo sapiens CHEMBL1918309 cell-based format
CHEMBL1917859 OBDepict CH 3 O HN N N H N N H F F F N N H O ClH IC50 = 0.056 nM 552.0 COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)NC2CC2)C[C@H]1c1ccccc1.Cl Homo sapiens CHEMBL1918309 cell-based format
CHEMBL1917862 OBDepict CH 3 O N H N N H N N H F F F N O N O H 3 C ClH IC50 = 0.057 nM 594.04 COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C[C@H]1c1ccccc1.Cl Homo sapiens CHEMBL1918309 cell-based format
CHEMBL1917860 OBDepict CH 3 O HN N N H N N H F F F N N H O F F F ClH IC50 = 0.057 nM 593.96 COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)NCC(F)(F)F)C[C@H]1c1ccccc1.Cl Homo sapiens CHEMBL1918309 cell-based format
CHEMBL447955 OBDepict O N H H H H O CH 3 H F F F F F F F IC50 = 0.06 nM 555.53 C[C@@H](O[C@H]1CC[C@@H]2CN(C3=CC(=O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1000259 cell-based format
CHEMBL398720 OBDepict CH 3 HN H 3 C N O H O H H 3 C H F F F F F F F IC50 = 0.06 nM 506.46 CC(C)NC(=O)N1C[C@@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1 Homo sapiens CHEMBL923388 cell-based format
CHEMBL356062 OBDepict CH 3 O N H N N H N N H N H IC50 = 0.06 nM 364.45 COc1ccc(-n2cnnn2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Homo sapiens CHEMBL828104 cell-based format
CHEMBL270090 OBDepict F H H O H N N H H 3 C H O F F F F F F IC50 = 0.06 nM 476.39 C[C@@H](O[C@H]1CN2C(=O)NC[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL929512 cell-based format
CHEMBL272649 OBDepict F H H O H N H 3 C H O F F F F F F IC50 = 0.06 nM 475.4 C[C@@H](O[C@H]1CN2C(=O)CC[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL929512 cell-based format
CHEMBL1077241 OBDepict F H H O H N H 3 C H HN O N F F F F F F H N IC50 = 0.06 nM 570.51 C[C@@H](O[C@H]1CN2C(=O)C(NCc3ccn[nH]3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110509 cell-based format
CHEMBL1090450 OBDepict O O O N H H O CH 3 H F F F F F F F IC50 = 0.066 nM 571.49 C[C@@H](O[C@H]1CN2C(=O)C=C(C3COC(=O)C3)CC2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110594 cell-based format
CHEMBL1093750 OBDepict F H H O H N H 3 C HO H 3 C H O F F F F F F IC50 = 0.07 nM 505.43 C[C@@H](O[C@H]1CN2C(=O)CC(C)(O)[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110509 cell-based format
CHEMBL400848 OBDepict F H N H O O H 3 C H N F F F F F F O H 3 C IC50 = 0.07 nM 574.54 CC(=O)N1CCC(C(=O)N2C[C@@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CC1 Homo sapiens CHEMBL923388 cell-based format
CHEMBL1082896 OBDepict F H H O H N H 3 C H N O N N F F F F F F IC50 = 0.07 nM 542.46 C[C@@H](O[C@H]1CN2C(=O)C(n3cnnc3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110509 cell-based format
CHEMBL140745 OBDepict F H N H O O N N N H H O F F F F F F IC50 = 0.07 nM 520.41 O=c1[nH]nc(CN2CCO[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccc(F)cc2)[nH]1 Homo sapiens CHEMBL807955 cell-based format
CHEMBL1087695 OBDepict F H H O H N N H 3 C H O N N F F F F F F IC50 = 0.07 nM 542.46 C[C@@H](O[C@H]1CN2C(=O)CC(n3cnnc3)[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110509 cell-based format
CHEMBL399668 OBDepict O N H O H CH 3 H F F F F F F IC50 = 0.07 nM 483.45 C[C@@H](O[C@@H]1CN(C2=CC(=O)CC2)C[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL923388 cell-based format
CHEMBL249145 OBDepict F H N H O O CH 3 CH 3 H F F F F F F IC50 = 0.07 nM 463.39 CC(=O)N1C[C@@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1 Homo sapiens CHEMBL923388 cell-based format
CHEMBL1917864 OBDepict CH 3 O HN N N H N N H F F F N O N H O CH 3 IC50 = 0.073 nM 531.54 COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)CNC(C)=O)C[C@H]1c1ccccc1 Homo sapiens CHEMBL1918309 cell-based format
CHEMBL1951634 OBDepict H 3 C O N H N O H H N O CH 3 CH 3 F F F F F F F IC50 = 0.073 nM 549.49 CONC(=O)N1CC[C@H](C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1 Homo sapiens CHEMBL1954993 cell-based format
CHEMBL1917850 OBDepict CH 3 O N H N N H N N H F F F N S O O CH 3 IC50 = 0.075 nM 510.54 COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(S(C)(=O)=O)C[C@H]1c1ccccc1 Homo sapiens CHEMBL1918309 cell-based format
CHEMBL282853 OBDepict O N H H 3 C N F F F F F F IC50 = 0.075 nM 488.43 Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL812542 cell-based format
CHEMBL1093751 OBDepict F H H O H N H 3 C H 2 N H 3 C H O F F F F F F IC50 = 0.08 nM 504.45 C[C@@H](O[C@H]1CN2C(=O)CC(C)(N)[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110509 cell-based format
CHEMBL522302 OBDepict H 3 C O HN N N H N N H N H F F F IC50 = 0.08 nM 432.45 COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Homo sapiens CHEMBL807955 cell-based format
CHEMBL2112366 OBDepict CH 3 O N O N N N H HN F F F IC50 = 0.08 nM 457.46 COc1ccc(-n2nnnc2C(F)(F)F)cc1C1=CC2(CCCN[C@H]2c2ccccc2)OC1 Homo sapiens CHEMBL807963 cell-based format
CHEMBL1090421 OBDepict HO H N O H H O CH 3 H F F F F F F F IC50 = 0.08 nM 491.4 C[C@@H](O[C@H]1CN2C(=O)CC(O)[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110509 cell-based format
CHEMBL1917858 OBDepict CH 3 O NH N N H N N H F F F N NH O CH 3 H 3 C ClH IC50 = 0.081 nM 554.02 COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)NC(C)C)C[C@H]1c1ccccc1.Cl Homo sapiens CHEMBL1918309 cell-based format
CHEMBL1917867 OBDepict CH 3 O HN N N H N N H F F F N O N CH 3 O CH 3 ClH IC50 = 0.084 nM 582.03 COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCN(C(=O)CN(C)C(C)=O)C[C@H]1c1ccccc1.Cl Homo sapiens CHEMBL1918309 cell-based format
CHEMBL1917855 OBDepict H 3 C HN N O H H N H O N N CH 3 N N F F F ClH IC50 = 0.086 nM 554.02 CCNC(=O)N1CC[C@H](NCc2cc(-n3nnnc3C(F)(F)F)ccc2OCC)[C@H](c2ccccc2)C1.Cl Homo sapiens CHEMBL1918309 cell-based format
CHEMBL1090742 OBDepict H 2 N H N O H H O CH 3 H F F F F F F F IC50 = 0.09 nM 490.42 C[C@@H](O[C@H]1CN2C(=O)CC(N)[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110509 cell-based format
CHEMBL1471 OBDepict F H N H O O N N H 3 C H N H H O F F F F F F IC50 = 0.09 nM 534.43 C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL807955 cell-based format
CHEMBL1090438 OBDepict F H N H O O CH 3 H O F F F F F F IC50 = 0.09 nM 571.53 C[C@@H](O[C@H]1CN2C(=O)C=C(C3CCOCC3)CC2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110594 cell-based format
CHEMBL382848 OBDepict F N H N H HN S O O CH 3 O O F F F IC50 = 0.09 nM 557.61 CS(=O)(=O)NCC1CC2(c3ccc(F)cc3)NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1 Homo sapiens CHEMBL858931 cell-based format
CHEMBL1091469 OBDepict F H H O H N H 3 C H H 3 C OH O F F F F F F IC50 = 0.09 nM 505.43 C[C@@H](O[C@H]1CN2C(=O)C(C)(O)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110509 cell-based format
CHEMBL425956 OBDepict O N H H H 3 C H O H CH 3 H F F F F F F F IC50 = 0.09 nM 477.42 C[C@@H]1NC(=O)CC[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 Homo sapiens CHEMBL871229 cell-based format
CHEMBL400148 OBDepict O CH 3 N H O H CH 3 H F F F F F F F IC50 = 0.09 nM 515.47 CC1CC(N2C[C@@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)=CC1=O Homo sapiens CHEMBL923388 cell-based format
CHEMBL143587 OBDepict H N N HO N N H O H O H 3 C H F F F F F F IC50 = 0.09 nM 516.44 C[C@H](O[C@H]1OCCN(Cc2n[nH]c(O)n2)[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL807955 cell-based format
CHEMBL490869 OBDepict CH 3 N H N O H H H H O CH 3 H F F F F F F F IC50 = 0.09 nM 532.5 CNC(=O)N1C[C@H]2CC[C@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3)[C@@H]2C1 Homo sapiens CHEMBL1000259 cell-based format
CHEMBL52330 OBDepict O N N H N H N H O H O F F F F F F IC50 = 0.09 nM 502.42 O=c1[nH]nc(CN2CCO[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1 Homo sapiens CHEMBL807955 cell-based format
CHEMBL251577 OBDepict H 3 C N O H O H CH 3 H F F F F F F F IC50 = 0.09 nM 477.42 CCC(=O)N1C[C@@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1 Homo sapiens CHEMBL923388 cell-based format
CHEMBL249144 OBDepict H 3 C N O H O H H 3 C H F F F F F F IC50 = 0.09 nM 445.4 CC(=O)N1C[C@@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccccc2)C1 Homo sapiens CHEMBL923388 cell-based format
CHEMBL1917857 OBDepict CH 3 NH N O H H N H O N N N N F F F IC50 = 0.093 nM 515.54 CCNC(=O)N1CC[C@H](NCc2cc(-n3nnnc3C(F)(F)F)cc3c2OCC3)[C@H](c2ccccc2)C1 Homo sapiens CHEMBL1918309 cell-based format
CHEMBL1951621 OBDepict O N H H 3 C H N O F F F F F F N O CH 3 IC50 = 0.098 nM 597.6 CC(=O)N1CCC(C(=O)N2CC[C@@H](C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccccc3)C2)CC1 Homo sapiens CHEMBL1954993 cell-based format
CHEMBL3919618 OBDepict H N N O N H N H O H 3 C H F F F F F F Ki = 0.1 nM 514.47 C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](n2cn[nH]c2=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3881174 single protein format
CHEMBL379072 OBDepict CH 3 NH O H O H 3 C H F F F F F F Ki = 0.1 nM 459.43 CC(=O)N[C@H]1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 Homo sapiens CHEMBL869696 cell-based format
CHEMBL1090648 OBDepict F H N H O O H 3 C H + N _ O F F F F F F IC50 = 0.1 nM 580.5 C[C@@H](O[C@H]1CN2C(=O)C=C(c3cc[n+]([O-])cc3)CC2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110594 cell-based format
CHEMBL478831 OBDepict CH 3 O N H H 3 C H F F F H N H IC50 < 0.1 nM 418.5 COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C)(C(F)(F)F)CC2 Homo sapiens CHEMBL967145 cell-based format
CHEMBL419119 OBDepict CH 3 O H N O N O N N H NH F F F F IC50 = 0.1 nM 493.46 COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1 Homo sapiens CHEMBL807967 cell-based format
CHEMBL468162 OBDepict CH 3 O F F F O N H CH 3 H H N H IC50 < 0.1 nM 408.46 COc1ccc(C(OC)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Homo sapiens CHEMBL967145 cell-based format
CHEMBL382803 OBDepict F O F F O NH HN IC50 = 0.1 nM 432.49 FC(F)(F)Oc1ccc(OC2CC2)c(CNC2CCC3CCC2(c2ccccc2)N3)c1 Homo sapiens CHEMBL858931 cell-based format
CHEMBL83250 OBDepict H 3 C O H N O N O N N H N F F F N N F N OH H IC50 = 0.1 nM 590.54 COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1COCC2(C1)OCCN(Cc1n[nH]c(O)n1)[C@H]2c1ccc(F)cc1 Homo sapiens CHEMBL807967 cell-based format
CHEMBL513511 OBDepict CH 3 O HN F F F F F F H H HN IC50 < 0.1 nM 446.44 COc1ccc(C(C(F)(F)F)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Homo sapiens CHEMBL967145 cell-based format
CHEMBL468856 OBDepict H 3 C O NH F H 3 C H F F F H NH IC50 < 0.1 nM 410.45 COc1ccc(C(C)(F)C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 Homo sapiens CHEMBL967145 cell-based format
CHEMBL251387 OBDepict H 3 C NH N O H O H CH 3 H F F F F F F F IC50 = 0.1 nM 492.44 CCNC(=O)N1C[C@@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1 Homo sapiens CHEMBL923388 cell-based format
CHEMBL445686 OBDepict F H H O H N H CH 3 H CH 3 O F F F F F F IC50 = 0.1 nM 569.56 CC1=C(N2C[C@H]3CC[C@H](O[C@H](C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H](c4ccc(F)cc4)[C@@H]3C2)CCC1=O Homo sapiens CHEMBL1000259 cell-based format
CHEMBL476948 OBDepict CH 3 O N H O H F F F H N H IC50 < 0.1 nM 406.45 COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(C(F)(F)F)OC2 Homo sapiens CHEMBL967145 cell-based format
CHEMBL140626 OBDepict F O CH 3 H F F F H O H N N N N HO H IC50 = 0.1 nM 466.44 C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(O)n2)[C@H]1c1ccccc1)c1cc(F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL807955 cell-based format
CHEMBL316141 OBDepict CH 3 O H N O N N N N F F F N N N OH H IC50 = 0.1 nM 556.55 COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1COC2(CCCN(Cc3n[nH]c(O)n3)C2c2ccccc2)C1 Homo sapiens CHEMBL807963 cell-based format
CHEMBL478392 OBDepict H 3 C O NH O CH 3 H F F F H NH IC50 < 0.1 nM 434.5 COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@](C)(C(F)(F)F)OCC2 Homo sapiens CHEMBL967145 cell-based format
CHEMBL428933 OBDepict H 3 C NH N O H O H CH 3 H F F F F F F F IC50 = 0.11 nM 478.41 CNC(=O)N1C[C@@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1 Homo sapiens CHEMBL923388 cell-based format
CHEMBL21709 OBDepict H 3 C O N N O N CH 3 CH 3 Cl IC50 = 0.11 nM 502.06 COc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)n(C)c3ccc(C)cc23)CC1 Homo sapiens CHEMBL748491 cell-based format
CHEMBL250798 OBDepict O N H O H CH 3 H F F F F F F F IC50 = 0.11 nM 501.44 C[C@@H](O[C@@H]1CN(C2=CC(=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL923388 cell-based format
CHEMBL401415 OBDepict O N H 3 C H O H CH 3 H F F F F F F F IC50 = 0.11 nM 515.47 CC1CC(=O)C=C1N1C[C@@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1 Homo sapiens CHEMBL923388 cell-based format
CHEMBL484134 OBDepict F H H O H N H H 3 C H O CH 3 F F F F F F IC50 = 0.11 nM 517.49 CC(=O)N1C[C@H]2CC[C@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3)[C@@H]2C1 Homo sapiens CHEMBL1000259 cell-based format
CHEMBL1090649 OBDepict F H N H O O H 3 C H N F F F F F F F IC50 = 0.11 nM 582.49 C[C@@H](O[C@H]1CN2C(=O)C=C(c3ccnc(F)c3)CC2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110594 cell-based format
CHEMBL202417 OBDepict HO N H HN O O F F F IC50 = 0.11 nM 462.51 OCC1CC2(c3ccccc3)NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1 Homo sapiens CHEMBL858931 cell-based format
CHEMBL1951635 OBDepict H 3 C N H O N O H H N O CH 3 CH 3 F F F F F F F IC50 = 0.11 nM 561.5 CNC(=O)C(=O)N1CC[C@H](C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1 Homo sapiens CHEMBL1954993 cell-based format
CHEMBL1091342 OBDepict F H N H O O CH 3 H H 3 C N CH 3 O F F F F F F IC50 = 0.11 nM 582.52 Cc1noc(C)c1C1=CC(=O)N2C[C@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3)C2C1 Homo sapiens CHEMBL1110594 cell-based format
CHEMBL1090547 OBDepict F H N H O O H 3 C H N O F F F F F F IC50 = 0.11 nM 554.46 C[C@@H](O[C@H]1CN2C(=O)C=C(c3ncco3)CC2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1110594 cell-based format
CHEMBL329828 OBDepict H 3 C O H N O N N N N F F F N N H IC50 = 0.11 nM 539.56 COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1COC2(CCCN(Cc3c[nH]cn3)C2c2ccccc2)C1 Homo sapiens CHEMBL807963 cell-based format
CHEMBL327250 OBDepict CH 3 O H N O N N N N H F F F IC50 = 0.11 nM 459.47 COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1COC2(CCCNC2c2ccccc2)C1 Homo sapiens CHEMBL807963 cell-based format
CHEMBL248748 OBDepict F H N H O O H 3 C H H N CH 3 O F F F F F F IC50 = 0.12 nM 546.48 C[C@@H](O[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL923388 cell-based format
CHEMBL251557 OBDepict F H N H O H 3 C H N O H 3 C F F F F F F IC50 = 0.12 nM 516.46 C[C@@H](O[C@@H]1CN(C2=CC(=O)N(C)C2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL923388 cell-based format
CHEMBL21122 OBDepict Cl N H 3 C N O N CH 3 OH IC50 = 0.12 nM 502.06 Cc1ccc(-c2c(CCC(=O)N3CCC(O)(Cc4ccccc4)CC3)c3cc(Cl)ccc3n2C)cn1 Homo sapiens CHEMBL748491 cell-based format
CHEMBL21792 OBDepict Cl N H 3 C N N O F F F OH IC50 = 0.12 nM 556.03 Cn1c(-c2ccc(C(F)(F)F)cn2)c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)ccc21 Homo sapiens CHEMBL748491 cell-based format
CHEMBL437878 OBDepict F H N H O H 3 C O CH 3 H F F F F F F IC50 = 0.12 nM 477.42 C[C@@H](O[C@H]1CCC(=O)N(C)C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL871229 cell-based format
CHEMBL400849 OBDepict F H N H O O CH 3 H N N CH 3 F F F F F F IC50 = 0.12 nM 541.47 Cc1cnc(C(=O)N2C[C@@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)cn1 Homo sapiens CHEMBL923388 cell-based format