HOME LIGAND hPROTEOME OTHERS DOCUMENT

P51681 | CCR5_HUMAN | C-C chemokine receptor type 5 (CCR5)

3D structures mapped by conservation among orthologs

[ Domain: "Rubredoxin-related" // Rubredoxin ]

download pymol session

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

download pymol session



[ 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
CHEMBL515193 OBDepict CH 3 N N H O N H 3 C Cl Cl HN H O IC50 = 0.003 nM 559.58 CCN(C(=O)NCc1ccc(Cl)c(Cl)c1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 Homo sapiens CHEMBL1034062 cell-based format
CHEMBL311795 OBDepict O N CH 3 N CH 3 N CH 3 N N H CH 3 CH 3 H F F F IC50 = 0.01 nM 503.61 Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 Homo sapiens CHEMBL649933 assay format
CHEMBL460845 OBDepict H 3 C N O N Cl CH 3 Cl N H H O IC50 = 0.05 nM 544.57 CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 Homo sapiens CHEMBL1034062 cell-based format
CHEMBL21106 OBDepict F H N H N H O OH F F F IC50 = 0.06 nM 546.65 O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL665164 cell-based format
CHEMBL457043 OBDepict H 3 C N O N CH 3 S O O CH 3 N H H O IC50 = 0.07 nM 553.77 CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 Homo sapiens CHEMBL1034062 cell-based format
CHEMBL316475 OBDepict OH O N H H H N IC50 = 0.1 nM 474.69 O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL654808 single protein format
CHEMBL20896 OBDepict HO O N H H H N IC50 = 0.1 nM 488.72 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL654808 single protein format
CHEMBL320386 OBDepict OH O N H H H N IC50 = 0.1 nM 474.69 O=C(O)[C@@H](C1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL654808 single protein format
CHEMBL328445 OBDepict H 2 C N O O N H + N N H O _ O IC50 = 0.1 nM 568.72 C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 Homo sapiens CHEMBL649936 cell-based format
CHEMBL20345 OBDepict HO O N H H H N F S F IC50 = 0.1 nM 542.74 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL665164 cell-based format
CHEMBL157491 OBDepict H 2 C N O O N H + N N H O _ O O H IC50 = 0.13 nM 588.75 C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN3OC4(CCCCC4)C[C@H]3[C@@H]2c2ccccc2)CC1 Homo sapiens CHEMBL654655 cell-based format
CHEMBL473558 OBDepict H 3 C N N H H N O H 3 C N N H 3 C CH 3 IC50 = 0.137 nM 451.66 Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCCC2)c2ccccc2)CC1 Homo sapiens CHEMBL1019461 cell-based format
CHEMBL461687 OBDepict CH 3 N N H O N H 3 C HN H O IC50 = 0.16 nM 490.69 CCN(C(=O)NCc1ccccc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 Homo sapiens CHEMBL1034062 cell-based format
CHEMBL319593 OBDepict H N N N N OH N H N H IC50 = 0.2 nM 542.77 OC1(CCCc2ccc(-c3nnn[nH]3)cc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 Homo sapiens CHEMBL654808 single protein format
CHEMBL329893 OBDepict CH 2 N O O N H + N N H O _ O O IC50 = 0.2 nM 574.72 C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@@H]2c2ccccc2)CC1 Homo sapiens CHEMBL649936 cell-based format
CHEMBL102826 OBDepict HO O N H H H N IC50 = 0.2 nM 502.74 O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL656554 assay format
CHEMBL322422 OBDepict CH 3 N N N N HO N H N H IC50 = 0.2 nM 556.8 Cn1nnnc1-c1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 Homo sapiens CHEMBL654809 cell-based format
CHEMBL431852 OBDepict H 2 C N O O N H + N N H O _ O O IC50 = 0.2 nM 582.7 C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1 Homo sapiens CHEMBL649936 cell-based format
CHEMBL20622 OBDepict OH O N H H H N F F F IC50 = 0.2 nM 542.69 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL665164 cell-based format
CHEMBL99909 OBDepict OH O N H H H N IC50 = 0.2 nM 488.72 O=C(O)[C@@H](C1CCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL654808 single protein format
CHEMBL21147 OBDepict F H N H N H O OH F F F IC50 = 0.2 nM 574.7 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(C(F)(F)F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL665164 cell-based format
CHEMBL1201187 OBDepict O HN H F F N H H H N H 3 C N N CH 3 CH 3 IC50 = 0.2 nM 513.68 Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 Homo sapiens CHEMBL1019461 cell-based format
CHEMBL511493 OBDepict OH O N H H H N S N IC50 = 0.23 nM 543.78 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL974332 cell-based format
CHEMBL333619 OBDepict HO O N H N S N IC50 = 0.23 nM 543.78 O=C(O)C(CC1CCC1)N1CC(c2ccccc2)[C@@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 Homo sapiens CHEMBL649935 single protein format
CHEMBL326487 OBDepict OH O N H N S N IC50 = 0.23 nM 529.75 O=C(O)C(CC1CC1)N1CC(c2ccccc2)[C@@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 Homo sapiens CHEMBL649935 single protein format
CHEMBL520091 OBDepict OH O N H H H N S N IC50 = 0.23 nM 529.75 O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL974332 cell-based format
CHEMBL425618 OBDepict O HN H F F N N H 3 C N N H 3 C CH 3 Ki = 0.24 nM 513.68 Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 Homo sapiens CHEMBL3706103 cell membrane format
CHEMBL480503 OBDepict OH O N H H H N S N IC50 = 0.29 nM 557.8 O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL649935 single protein format
CHEMBL455073 OBDepict HO O N H H H N F F F IC50 = 0.3 nM 570.74 O=C(O)[C@@H](CC1CCCCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL974332 cell-based format
CHEMBL317710 OBDepict OH N H N H IC50 = 0.3 nM 474.73 OC1(CCCc2ccccc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 Homo sapiens CHEMBL654810 cell-based format
CHEMBL2435848 OBDepict Cl N H 3 C CH 3 N O CH 3 N N O N H IC50 = 0.3 nM 592.23 Cc1cc(Cl)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 Homo sapiens CHEMBL2439744 cell-based format
CHEMBL282921 OBDepict HO O N H H H N F F F IC50 = 0.3 nM 556.71 O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL665164 cell-based format
CHEMBL194497 OBDepict OH O N H H H N F N N F IC50 = 0.3 nM 522.64 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc(F)cn34)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL832790 cell-based format
CHEMBL435472 OBDepict CH 3 N N N H 3 C H N H H CH 3 H O HO F CH 3 IC50 = 0.3 nM 574.79 CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL659084 cell-based format
CHEMBL21117 OBDepict OH O N H H H N F F F F IC50 = 0.3 nM 560.68 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL665164 cell-based format
CHEMBL20988 OBDepict N N H N H H O HO F IC50 = 0.3 nM 531.72 N#Cc1ccc(CCCC2CCN(C[C@H]3CN([C@H](CC4CCC4)C(=O)O)C[C@@H]3c3cccc(F)c3)CC2)cc1 Homo sapiens CHEMBL665164 cell-based format
CHEMBL459384 OBDepict H 3 C N O N CH 3 Cl N H H O IC50 = 0.34 nM 510.12 CCN(C(=O)Cc1ccc(Cl)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 Homo sapiens CHEMBL1034062 cell-based format
CHEMBL480693 OBDepict OH O N H H H N O N IC50 = 0.34 nM 527.71 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL649935 single protein format
CHEMBL193984 OBDepict H 3 C N N N H N H H O HO F IC50 = 0.35 nM 532.7 CCc1ccn2c(C3CCN(C[C@H]4CN([C@H](CC5CCC5)C(=O)O)C[C@@H]4c4cccc(F)c4)CC3)cnc2c1 Homo sapiens CHEMBL832790 cell-based format
CHEMBL2112559 OBDepict OH O N H H H N N N H IC50 = 0.38 nM 526.73 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL649935 single protein format
CHEMBL489513 OBDepict H 3 C N N H H N O H 3 C N N H 3 C CH 3 F F IC50 = 0.38 nM 473.61 Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CC(F)(F)C2)c2ccccc2)CC1 Homo sapiens CHEMBL1019461 cell-based format
CHEMBL350563 OBDepict CH 3 O N N Br CH 3 N O Cl Cl N Ki = 0.4 nM 582.37 CCO/N=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CC1 Homo sapiens CHEMBL650119 single protein format
CHEMBL335794 OBDepict CH 3 O N N Br H 3 C N O Cl Cl N Ki = 0.4 nM 582.37 CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CC1 Homo sapiens CHEMBL649945 single protein format
CHEMBL2435857 OBDepict O N N H O N CH 3 N S O OH IC50 = 0.4 nM 586.76 Cc1nc(Sc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 Homo sapiens CHEMBL2439744 cell-based format
CHEMBL344261 OBDepict H 3 C N N N N F H N H H O HO F IC50 = 0.4 nM 541.69 CCCN(c1ncc(F)cn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 Homo sapiens CHEMBL654654 cell-based format
CHEMBL20453 OBDepict F H N H N H O OH OH F IC50 = 0.4 nM 526.67 O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL665164 cell-based format
CHEMBL464132 OBDepict H 3 C N N N N HO N H N H IC50 = 0.4 nM 556.8 Cn1nnc(-c2ccc(CCCC3(O)CCN(C[C@H]4CN(CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 Homo sapiens CHEMBL974332 cell-based format
CHEMBL103790 OBDepict H 3 C + N N N N H HO N H N H IC50 = 0.4 nM 557.81 C[n+]1n[nH]c(-c2ccc(CCCC3(O)CCN(C[C@H]4CN(CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 Homo sapiens CHEMBL654809 cell-based format
CHEMBL2113086 OBDepict OH O N H H H N F N N IC50 = 0.42 nM 504.65 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL832790 cell-based format
CHEMBL456226 OBDepict H 3 C N O N CH 3 F F F N H H O IC50 = 0.48 nM 543.67 CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 Homo sapiens CHEMBL1034062 cell-based format
CHEMBL491319 OBDepict O N H H F F N H 3 C H N H 3 C N N H 3 C CH 3 IC50 = 0.48 nM 473.61 Cc1nnc(C(C)C)n1C1CCN([C@H](C)C[C@H](NC(=O)C2CC(F)(F)C2)c2ccccc2)CC1 Homo sapiens CHEMBL1019461 cell-based format
CHEMBL367897 OBDepict CH 3 HN N N CH 3 N H N H H H 3 C H O HO F CH 3 IC50 = 0.5 nM 589.8 CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc(NC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL659084 cell-based format
CHEMBL278117 OBDepict OH O N H H H N F + S _ O F IC50 = 0.5 nM 558.74 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC[S+]([O-])c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL665164 cell-based format
CHEMBL177071 OBDepict CH 3 N N N F H N H H H 3 C H 3 C CH 3 O HO F IC50 = 0.5 nM 578.75 CCn1nc(Cc2ccccc2F)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 Homo sapiens CHEMBL659084 cell-based format
CHEMBL20831 OBDepict F F F N H N H H O OH CH 3 H 3 C F IC50 = 0.5 nM 534.64 CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL665164 cell-based format
CHEMBL278085 OBDepict OH O N H H H N F IC50 = 0.5 nM 506.71 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL665164 cell-based format
CHEMBL255429 OBDepict H 3 C CH 3 N O H 3 C N N N IC50 = 0.5 nM 482.67 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 Homo sapiens CHEMBL929614 cell-based format
CHEMBL322603 OBDepict HO O N H H H N HO IC50 = 0.5 nM 518.74 O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL654808 single protein format
CHEMBL371177 OBDepict F H N H N H O OH N N Cl Cl IC50 = 0.5 nM 573.54 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4c(Cl)cc(Cl)cn34)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL832790 cell-based format
CHEMBL471920 OBDepict CH 3 H 3 C N H O HO H H N F F F F IC50 = 0.5 nM 548.67 CC(C)C[C@H](C(=O)O)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL974332 cell-based format
CHEMBL344641 OBDepict H 3 C N N N N F F F H N H H O HO F IC50 = 0.5 nM 591.69 CCCN(c1ncc(C(F)(F)F)cn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 Homo sapiens CHEMBL654654 cell-based format
CHEMBL472464 OBDepict O N N H 3 C N O CH 3 H 3 C IC50 = 0.5 nM 487.69 Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)C(=O)C3CC3)CC2)CC1 Homo sapiens CHEMBL1026563 cell-based format
CHEMBL513564 OBDepict CH 3 CH 3 N H O HO H H N S N IC50 = 0.51 nM 517.74 CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL649935 single protein format
CHEMBL473759 OBDepict CH 3 N NH H N O H 3 C N N CH 3 H 3 C IC50 = 0.513 nM 465.69 Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCCCC2)c2ccccc2)CC1 Homo sapiens CHEMBL1019461 cell-based format
CHEMBL500631 OBDepict CH 3 N N H N H N H H O HO IC50 = 0.57 nM 554.78 CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 Homo sapiens CHEMBL974332 cell-based format
CHEMBL2112558 OBDepict CH 3 N N H N H N H H O HO F IC50 = 0.57 nM 572.77 CCc1[nH]c(Cc2ccccc2)nc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 Homo sapiens CHEMBL649935 single protein format
CHEMBL472412 OBDepict HO O N H H H N N Cl N H IC50 = 0.6 nM 561.17 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL974332 cell-based format
CHEMBL369494 OBDepict CH 3 N N N CH 3 H N H H H 3 C H 3 C CH 3 O HO F IC50 = 0.6 nM 574.79 CCn1nc(Cc2ccc(C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 Homo sapiens CHEMBL659084 cell-based format
CHEMBL195753 OBDepict OH O N H H H N F N N + N O _ O IC50 = 0.6 nM 549.65 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc([N+](=O)[O-])cn34)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL832790 cell-based format
CHEMBL408800 OBDepict CH 3 N N N HO H N H H CH 3 H O HO F CH 3 IC50 = 0.6 nM 576.76 CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(O)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL659084 cell-based format
CHEMBL352981 OBDepict CH 3 N N N H N H H O OH IC50 = 0.6 nM 582.83 CCn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 Homo sapiens CHEMBL656553 single protein format
CHEMBL367837 OBDepict CH 3 N N N H N H H O OH IC50 = 0.6 nM 596.86 CCCn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 Homo sapiens CHEMBL656554 assay format
CHEMBL262663 OBDepict CH 3 N N N OH H N H H O HO H 3 C H 3 C F IC50 = 0.6 nM 562.73 CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 Homo sapiens CHEMBL659084 cell-based format
CHEMBL2112557 OBDepict HO O N H H H N F N Cl N H IC50 = 0.6 nM 579.16 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL649935 single protein format
CHEMBL59511 OBDepict N N N H 3 C N O CH 3 H 3 C + N _ O IC50 = 0.6 nM 537.71 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 Homo sapiens CHEMBL929614 cell-based format
CHEMBL520755 OBDepict OH O N H H H N N N H IC50 = 0.67 nM 540.75 O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL649935 single protein format
CHEMBL140827 OBDepict Cl N Cl N O H 3 C N N H CH 3 CH 3 H F F F Ki = 0.7 nM 543.46 C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL649953 cell-based format
CHEMBL435554 OBDepict CH 3 O N N H 3 C N H N H H H 3 C H 3 C CH 3 O HO F IC50 = 0.7 nM 590.78 CCn1nc(Cc2cccc(OC)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 Homo sapiens CHEMBL659084 cell-based format
CHEMBL318406 OBDepict H 3 C H 3 C N H O OH H H N IC50 = 0.7 nM 462.68 CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL654808 single protein format
CHEMBL2435856 OBDepict CH 3 N O N N O HO O N H O IC50 = 0.7 nM 584.72 CCc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 Homo sapiens CHEMBL2439744 cell-based format
CHEMBL2112552 OBDepict HO O N H H H N F N Cl N H IC50 = 0.7 nM 565.13 O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL649935 single protein format
CHEMBL377914 OBDepict O N H N F HN H O IC50 = 0.7 nM 451.59 O=C(Cc1ccc(F)cc1)NC1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 Homo sapiens CHEMBL869857 cell-based format
CHEMBL2112560 OBDepict OH O N H H H N N N H IC50 = 0.73 nM 512.7 O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL649935 single protein format
CHEMBL211866 OBDepict CH 3 N O N S O O CH 3 H S O O CH 3 IC50 = 0.76 nM 596.82 CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)c2ccc(S(C)(=O)=O)cc2)CC1 Homo sapiens CHEMBL865374 cell-based format
CHEMBL471251 OBDepict CH 3 N S N H N H H O HO IC50 = 0.76 nM 571.83 CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 Homo sapiens CHEMBL974332 cell-based format
CHEMBL2112553 OBDepict CH 3 N S N H N H H O HO F IC50 = 0.76 nM 589.82 CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 Homo sapiens CHEMBL649935 single protein format
CHEMBL471909 OBDepict H 3 C CH 3 N H O HO H H N F S F IC50 = 0.8 nM 530.73 CC(C)C[C@H](C(=O)O)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL974332 cell-based format
CHEMBL281607 OBDepict HO O N H H H N F F IC50 = 0.8 nM 524.7 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL665164 cell-based format
CHEMBL275998 OBDepict H 3 C N N N O N CH 3 H N H H O HO F IC50 = 0.8 nM 553.72 CCCN(c1nccc(OC)n1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 Homo sapiens CHEMBL654654 cell-based format
CHEMBL281176 OBDepict F S N H N H H O OH CH 3 H 3 C F IC50 = 0.8 nM 516.7 CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL665164 cell-based format
CHEMBL193822 OBDepict OH O N H H H N F N N IC50 = 0.8 nM 580.75 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc(-c5ccccc5)cn34)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL832790 cell-based format
CHEMBL511634 OBDepict HO O N H H H N O N IC50 = 0.8 nM 541.74 O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)no3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL974332 cell-based format
CHEMBL101961 OBDepict OH O N H H H N OH IC50 = 0.8 nM 512.69 O=C(O)[C@@H](c1ccccc1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL654808 single protein format
CHEMBL172854 OBDepict CH 3 N N N H N H H H 3 C H 3 C CH 3 O HO F IC50 = 0.8 nM 560.76 CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 Homo sapiens CHEMBL659085 cell-based format
CHEMBL255644 OBDepict Cl N Cl N O CH 3 N N N IC50 = 0.8 nM 524.5 CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2c(Cl)cncc2Cl)CC1 Homo sapiens CHEMBL929614 cell-based format
CHEMBL435709 OBDepict OH O N H H H N O N IC50 = 0.8 nM 541.74 O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3oncc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL656553 single protein format
CHEMBL435538 OBDepict CH 3 CH 3 H N H O OH H H N F N N H 3 C IC50 = 0.8 nM 560.76 CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL659085 cell-based format
CHEMBL328260 OBDepict H 2 C N O O N H + N N H O _ O O IC50 = 0.8 nM 588.75 C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 Homo sapiens CHEMBL649936 cell-based format
CHEMBL435886 OBDepict OH O N H H H N F N N F F F IC50 = 0.82 nM 572.65 O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc(C(F)(F)F)cn34)CC2)[C@@H](c2cccc(F)c2)C1 Homo sapiens CHEMBL832790 cell-based format
CHEMBL193440 OBDepict HO O N H H H N N N IC50 = 0.84 nM 542.77 O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 Homo sapiens CHEMBL832790 cell-based format