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P08235 | MCR_HUMAN | Mineralocorticoid receptor (NR3C2)

3D structures mapped by conservation among orthologs

[ Domain: "Nuclear receptor ligand-binding domain" // Hormone_recep ]

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[ Domain: "LIM domain-like" // zf-C4 ]

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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
CHEMBL4095917 OBDepict N N N N N H N H 3 C O F Ki = 0.08 nM 480.55 CN1CCN(n2/c(=NC#N)[nH]c3cc(/C=C4c5ccccc5COc5cc(F)ccc54)ccc32)CC1 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL4086416 OBDepict N N N N H H N H O O F F Ki = 0.23 nM 525.56 N#C/N=c1/[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc2n1[C@H]1C[C@@H]2COCCN2C1 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL273453 OBDepict OH O H O H H OH H H CH 3 O IC50 = 0.305 nM 360.45 C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12 Homo sapiens CHEMBL4263480 cell-based format
CHEMBL4088896 OBDepict F O N N H N CH 3 H N O NH 2 O Ki = 0.33 nM 527.6 C[C@H](CN1CCOCC1)n1/c(=NC(N)=O)[nH]c2cc(/C=C3c4ccccc4COc4cc(F)ccc43)ccc21 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL3120319 OBDepict CH 3 O HN S O O H 3 C Ki = 0.342 nM 391.49 C/C(=C1/c2ccccc2COc2ccccc21)c1cccc(NS(C)(=O)=O)c1 Homo sapiens CHEMBL3122505 cell-based format
CHEMBL4099276 OBDepict N N N N H H 3 C H N O O F Ki = 0.4 nM 509.59 C[C@H](CN1CCOCC1)n1/c(=NC#N)[nH]c2cc(/C=C3c4ccccc4COc4cc(F)ccc43)ccc21 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL2181925 OBDepict F O N N H O H N H O Ki = 0.4 nM 483.54 O=c1[nH]c2cc(/C=C3c4ccccc4COc4cc(F)ccc43)ccc2n1[C@H]1C[C@H]2COCCN2C1 Homo sapiens CHEMBL2188779 cell-based format
CHEMBL235206 OBDepict F F CH 3 N H N H S O O CH 3 Ki = 0.494 nM 390.46 C[C@@](c1ccc(F)cc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1 Homo sapiens CHEMBL902628 single protein format
CHEMBL166444 OBDepict O H H CH 3 CH 3 OH Ki = 0.54 nM 284.4 C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C Homo sapiens CHEMBL3767967 cell-based format
CHEMBL1672542 OBDepict F CH 3 N H N H S O O CH 3 Ki = 0.64 nM 372.47 CC(c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1 Homo sapiens CHEMBL1680619 cell-based format
CHEMBL4063735 OBDepict N N N N H CH 3 H N O O F F Ki = 0.79 nM 527.58 C[C@H](CN1CCOCC1)n1/c(=NC#N)[nH]c2cc(/C=C3c4ccc(F)cc4COc4cc(F)ccc43)ccc21 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL3120318 OBDepict H 3 C O HN S O O H 3 C Ki = 0.967 nM 405.52 CC/C(=C1/c2ccccc2COc2ccccc21)c1cccc(NS(C)(=O)=O)c1 Homo sapiens CHEMBL3122505 cell-based format
CHEMBL4087205 OBDepict Cl N H 3 C F OH H 3 C H N H O S O O CH 3 IC50 = 1.2 nM 541.04 Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(C[C@H](C)O)n1-c1ccc(Cl)cc1-c1ccc(F)cc1 Homo sapiens CHEMBL4008019 cell-based format
CHEMBL4102708 OBDepict CH 3 O O CH 3 H 3 C NH O O IC50 = 1.3 nM 339.39 CC(=O)Oc1ccc(CCc2cc(C)c3c(c2)NC(=O)CO3)c(C)c1 Homo sapiens CHEMBL4008036 cell-based format
CHEMBL235209 OBDepict F CH 3 N H N H S O O CH 3 Ki = 1.56 nM 372.47 C[C@@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1 Homo sapiens CHEMBL902628 single protein format
CHEMBL1393 OBDepict H 3 C S O H H H H H 3 C H 3 C O O O IC50 = 1.6 nM 416.58 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21 Homo sapiens CHEMBL1111215 cell-based format
CHEMBL3263752 OBDepict N H 3 C N N H N O CH 3 O OH IC50 = 1.8 nM 404.47 COc1nc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)O Homo sapiens CHEMBL3265995 single protein format
CHEMBL3775752 OBDepict O HN O O F Ki = 2.0 nM 373.38 O=C1COc2ccc(/C=C3c4ccccc4COc4cc(F)ccc43)cc2N1 Homo sapiens CHEMBL3776777 assay format
CHEMBL3578271 OBDepict F N H 3 C H O O O N N H Cl Ki = 2.0 nM 463.9 C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3cc(Cl)ccc3[nH]2)C1=O Homo sapiens CHEMBL3579316 single protein format
CHEMBL3775752 OBDepict O HN O O F IC50 = 2.0 nM 373.38 O=C1COc2ccc(/C=C3c4ccccc4COc4cc(F)ccc43)cc2N1 Homo sapiens CHEMBL3776776 assay format
CHEMBL4078451 OBDepict CH 3 O O H 3 C HN O O IC50 < 2.0 nM 325.36 CC(=O)Oc1ccc(CCc2ccc3c(c2)NC(=O)CO3)c(C)c1 Homo sapiens CHEMBL4008036 cell-based format
CHEMBL3605932 OBDepict Cl N H NH S O O CH 3 Ki = 2.1 nM 320.8 CS(=O)(=O)Nc1cccc2c(-c3cccc(Cl)c3)c[nH]c12 Homo sapiens CHEMBL3607224 cell-based format
CHEMBL3263768 OBDepict CH 3 O N HN O N N N N H N H N H 3 C N IC50 = 2.2 nM 471.53 COc1nc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)Nc1nnn[nH]1 Homo sapiens CHEMBL3265996 single protein format
CHEMBL391231 OBDepict F F CH 3 N H N H S O O CH 3 Ki = 2.25 nM 390.46 C[C@](c1ccc(F)cc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1 Homo sapiens CHEMBL902628 single protein format
CHEMBL1393 OBDepict H 3 C S O H H H H H 3 C H 3 C O O O Ki = 2.323 nM 416.58 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21 Homo sapiens CHEMBL902628 single protein format
CHEMBL3120320 OBDepict CH 3 S HN O O Ki = 2.48 nM 375.49 CS(=O)(=O)Nc1cccc(C=C2c3ccccc3CCc3ccccc32)c1 Homo sapiens CHEMBL3122505 cell-based format
CHEMBL3263760 OBDepict N H 3 C N N H N O CH 3 O NH 2 IC50 = 2.7 nM 403.49 COc1nc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(N)=O Homo sapiens CHEMBL3265996 single protein format
CHEMBL3263766 OBDepict H 3 C O N N H O N S N O O CH 3 H CH 3 N IC50 = 2.8 nM 481.58 COc1nc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)NS(C)(=O)=O Homo sapiens CHEMBL3265996 single protein format
CHEMBL4065788 OBDepict Cl N F F F H 3 C HO CH 3 H N H O S O O CH 3 IC50 = 3.1 nM 514.95 Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(C[C@H](C)O)n1-c1ccc(Cl)cc1C(F)(F)F Homo sapiens CHEMBL4008019 cell-based format
CHEMBL3263764 OBDepict CH 3 HN O O N CH 3 N N H N H 3 C N IC50 = 3.3 nM 418.5 CNC(=O)c1ccc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)nc1OC Homo sapiens CHEMBL3265996 single protein format
CHEMBL3926496 OBDepict O CH 3 H H H H H CH 3 H O H O IC50 = 3.3 nM 366.5 C[C@@]12CCC(=O)C=C1[C@H]1C[C@H]1[C@H]1[C@H]2CC[C@]2(C)[C@@H]1[C@H]1C[C@H]1[C@]21CCC(=O)O1 Homo sapiens CHEMBL3706043 assay format
CHEMBL4064750 OBDepict OH N H 3 C NH O F F F Cl S O O CH 3 IC50 = 3.7 nM 500.93 Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(CCO)n1-c1ccc(Cl)cc1C(F)(F)F Homo sapiens CHEMBL4008019 cell-based format
CHEMBL3263762 OBDepict CH 3 O N N O N CH 3 H 3 C N H CH 3 N IC50 = 3.7 nM 431.54 COc1nc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)N(C)C Homo sapiens CHEMBL3265996 single protein format
CHEMBL4078631 OBDepict F F F F N H 3 C CH 3 H N H O HO CH 3 H S O O CH 3 IC50 = 3.8 nM 512.53 Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn([C@H](C)[C@H](C)O)c1-c1ccc(F)cc1C(F)(F)F Homo sapiens CHEMBL4008019 cell-based format
CHEMBL3263767 OBDepict H 3 C O N N H O N S N O O CH 3 H N CH 3 N IC50 = 4.1 nM 482.57 COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)NS(C)(=O)=O Homo sapiens CHEMBL3265996 single protein format
CHEMBL3263763 OBDepict N H 3 C N N N H N O CH 3 O NH 2 IC50 = 4.3 nM 404.47 COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(N)=O Homo sapiens CHEMBL3265996 single protein format
CHEMBL3263757 OBDepict CH 3 O N O HO N N H CH 3 N IC50 = 4.4 nM 418.5 CCOc1nc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)O Homo sapiens CHEMBL3265996 single protein format
CHEMBL3643690 OBDepict NH 2 NH O N CH 3 F IC50 = 4.7 nM 273.31 Cc1cc(F)ccc1CCc1ccnc(NC(N)=O)c1 Homo sapiens CHEMBL3705363 assay format
CHEMBL3692351 OBDepict CH 3 O H H H H O IC50 = 5.0 nM 326.48 CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21C=CCO1 Homo sapiens CHEMBL3706043 assay format
CHEMBL3774871 OBDepict CH 3 N O N H O F Ki = 6.0 nM 440.52 CN1CCC2(CC1)C(=O)Nc1cc(/C=C3c4ccccc4COc4cc(F)ccc43)ccc12 Homo sapiens CHEMBL3776777 assay format
CHEMBL3775389 OBDepict H 3 C N CH 3 N O O N H O F Ki = 6.0 nM 511.6 CN(C)CC(=O)N1CCC2(CC1)C(=O)Nc1cc(/C=C3c4ccccc4COc4cc(F)ccc43)ccc12 Homo sapiens CHEMBL3776777 assay format
CHEMBL3775473 OBDepict S N H O H 3 C CH 3 S N O O O F Ki = 6.0 nM 470.55 CC1(C)OC(=S)Nc2ccc(S(=O)(=O)N3c4ccccc4COc4cc(F)ccc43)cc21 Homo sapiens CHEMBL3776777 assay format
CHEMBL3775389 OBDepict H 3 C N CH 3 N O O N H O F IC50 = 6.0 nM 511.6 CN(C)CC(=O)N1CCC2(CC1)C(=O)Nc1cc(/C=C3c4ccccc4COc4cc(F)ccc43)ccc12 Homo sapiens CHEMBL3776776 assay format
CHEMBL3120317 OBDepict CH 3 O O NH CH 3 S O O CH 3 Ki = 6.1 nM 435.55 CC/C(=C1c2ccccc2OCc2cccc(OC)c21)c1cccc(NS(C)(=O)=O)c1 Homo sapiens CHEMBL3122505 cell-based format
CHEMBL4088459 OBDepict F N F F F H 3 C CH 3 H N H O HO CH 3 H S O O CH 3 IC50 = 6.2 nM 512.53 Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc([C@H](C)[C@H](C)O)n1-c1ccc(F)cc1C(F)(F)F Homo sapiens CHEMBL4008019 cell-based format
CHEMBL2181928 OBDepict O N H O N N H H H 3 C O Ki = 6.3 nM 325.37 C[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)[C@H](c2ccccc2)CO1 Homo sapiens CHEMBL4028141 single protein format
CHEMBL4068898 OBDepict F N H 3 C NH O O F F F S O O CH 3 IC50 = 6.5 nM 484.47 Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(CCF)n1-c1ccc(F)cc1OC(F)F Homo sapiens CHEMBL4008019 cell-based format
CHEMBL3775816 OBDepict F O N H O HN ClH Ki = 7.0 nM 462.95 Cl.O=C1Nc2cc(/C=C3c4ccccc4COc4cc(F)ccc43)ccc2C12CCNCC2 Homo sapiens CHEMBL3776777 assay format
CHEMBL4104632 OBDepict H 3 C O O H O O H 3 C N H O CH 3 CH 3 IC50 = 7.0 nM 407.47 CC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCC2)[C@@H]1c1cccc2c(=O)cc(C)oc12 Homo sapiens CHEMBL4008023 cell-based format
CHEMBL2181933 OBDepict NH 2 NH O N CH 3 IC50 = 7.1 nM 255.32 Cc1ccccc1CCc1ccnc(NC(N)=O)c1 Homo sapiens CHEMBL2188765 assay format
CHEMBL384467 OBDepict HO O OH H CH 3 CH 3 H H OH H F CH 3 O Ki = 7.2 nM 392.47 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO Homo sapiens CHEMBL896164 single protein format
CHEMBL391439 OBDepict F CH 3 N H N H S O O CH 3 Ki = 7.5 nM 372.47 C[C@](c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1 Homo sapiens CHEMBL902628 single protein format
CHEMBL3263754 OBDepict N H 3 C N N N H N O CH 3 O OH IC50 = 7.6 nM 405.46 COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)O Homo sapiens CHEMBL3265996 single protein format
CHEMBL3337825 OBDepict F N N CH 3 HN F F F O O IC50 = 8.4 nM 433.4 Cc1nn(CCCC(F)(F)F)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2 Homo sapiens CHEMBL3381811 cell-based format
CHEMBL3775798 OBDepict F O N N H O H N H O Ki = 9.0 nM 483.54 O=c1[nH]c2cc(/C=C3c4ccccc4COc4cc(F)ccc43)ccc2n1[C@@H]1C[C@@H]2COCCN2C1 Homo sapiens CHEMBL3776777 assay format
CHEMBL1215331 OBDepict N Cl N N H H O OH IC50 = 9.0 nM 419.91 N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CC[C@@H]3[C@@H]2C2CCCC2)cc1Cl Homo sapiens CHEMBL3265995 single protein format
CHEMBL3263750 OBDepict N H 3 C N N H O CH 3 O OH IC50 = 9.0 nM 403.48 COc1cc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)O Homo sapiens CHEMBL3265996 single protein format
CHEMBL2181932 OBDepict OH N H 3 C NH O F F F S O O CH 3 IC50 = 9.4 nM 466.48 Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(CCO)c1-c1ccccc1C(F)(F)F Homo sapiens CHEMBL4008019 cell-based format
CHEMBL3263765 OBDepict CH 3 O N N O N CH 3 H 3 C N H N CH 3 N IC50 = 9.4 nM 432.53 COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)N(C)C Homo sapiens CHEMBL3265996 single protein format
CHEMBL3643660 OBDepict H 2 N NH O N N N Cl IC50 = 9.4 nM 313.75 NC(=O)Nc1cc(-c2ccnn2-c2ccc(Cl)cc2)ccn1 Homo sapiens CHEMBL3705363 assay format
CHEMBL3940837 OBDepict H 2 N O H N O O Br NH O O IC50 = 9.5 nM 446.26 NC(=O)C[C@H]1COc2cc(Br)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2 Homo sapiens CHEMBL3888754 assay format
CHEMBL4078561 OBDepict F O N N H N H N O H 2 N H O Ki <= 10.0 nM 525.58 NC(=O)/N=c1/[nH]c2cc(/C=C3c4ccccc4COc4cc(F)ccc43)ccc2n1[C@H]1C[C@@H]2COCCN2C1 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL4067668 OBDepict N N N N H H N H OH H 3 C O F Ki <= 10.0 nM 481.53 CN1C[C@H](O)[C@@H](n2/c(=NC#N)[nH]c3cc(/C=C4c5ccccc5COc5cc(F)ccc54)ccc32)C1 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL4066645 OBDepict N N N N H H N H O O F F Ki <= 10.0 nM 525.56 N#C/N=c1/[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc2n1[C@H]1C[C@H]2COCCN2C1 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL4094179 OBDepict N N N N H H N H O O F F Ki <= 10.0 nM 525.56 N#C/N=c1/[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc2n1[C@@H]1C[C@@H]2COCCN2C1 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL395716 OBDepict H 3 C O S O H 3 C NH O OH CH 3 H 3 C CH 3 Ki = 10.0 nM 461.58 COCc1ccsc1/C=C1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 Homo sapiens CHEMBL896164 single protein format
CHEMBL4104314 OBDepict N N N N H H N H O O F F Ki <= 10.0 nM 525.56 N#C/N=c1/[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc2n1[C@@H]1C[C@H]2COCCN2C1 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL4091539 OBDepict N N N N H CH 3 H N O O F F Ki <= 10.0 nM 527.58 C[C@H](CN1CCOCC1)n1/c(=NC#N)[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc21 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL3337831 OBDepict O N H O H 3 C N N F F F CH 3 IC50 = 10.0 nM 415.42 Cc1nn(CCC(C)(F)F)c(-c2ccc(F)cc2)c1-c1ccc2c(c1)NC(=O)CO2 Homo sapiens CHEMBL3381811 cell-based format
CHEMBL4101755 OBDepict N N N N H H 3 C H N O O F Ki <= 10.0 nM 509.59 C[C@@H](CN1CCOCC1)n1/c(=NC#N)[nH]c2cc(/C=C3c4ccccc4COc4cc(F)ccc43)ccc21 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL4068598 OBDepict N N N N H CH 3 H N O O F F Ki <= 10.0 nM 527.58 C[C@@H](CN1CCOCC1)n1/c(=NC#N)[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc21 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL4083760 OBDepict N N N N H CH 3 H N O O F F Ki <= 10.0 nM 527.58 C[C@@H](CN1CCOCC1)n1/c(=NC#N)[nH]c2cc(/C=C3c4ccc(F)cc4COc4cc(F)ccc43)ccc21 Homo sapiens CHEMBL4008040 cell-based format
CHEMBL3263751 OBDepict CH 3 O O HO N N H CH 3 N IC50 = 10.7 nM 417.51 CCOc1cc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)O Homo sapiens CHEMBL3265996 single protein format
CHEMBL3643674 OBDepict H 2 N HN O N CH 3 CH 3 IC50 = 11.0 nM 269.35 Cc1ccccc1C(C)Cc1ccnc(NC(N)=O)c1 Homo sapiens CHEMBL3705363 assay format
CHEMBL1929041 OBDepict O NH O Cl N N F F F CH 3 F IC50 = 12.0 nM 425.77 Cc1cc(F)ccc1-n1nc(C(F)(F)F)cc1-c1cc(Cl)c2c(c1)NC(=O)CO2 Homo sapiens CHEMBL1929756 cell-based format
CHEMBL3775714 OBDepict F O N N H H O Ki = 12.0 nM 358.37 O=c1[nH]c2ccc(/C=C3c4ccccc4COc4cc(F)ccc43)cc2[nH]1 Homo sapiens CHEMBL3776777 assay format
CHEMBL3643673 OBDepict NH 2 HN O N IC50 = 13.0 nM 317.39 NC(=O)Nc1cc(CC(c2ccccc2)c2ccccc2)ccn1 Homo sapiens CHEMBL3705363 assay format
CHEMBL3775296 OBDepict F O O Ki = 13.0 nM 356.4 O=C1CCc2c(/C=C3c4ccccc4COc4cc(F)ccc43)cccc21 Homo sapiens CHEMBL3776777 assay format
CHEMBL3643686 OBDepict NH 2 HN O N F F F IC50 = 13.0 nM 309.29 NC(=O)Nc1cc(CCc2ccccc2C(F)(F)F)ccn1 Homo sapiens CHEMBL3705363 assay format
CHEMBL3775383 OBDepict F O OH Ki = 14.0 nM 358.41 OC1CCc2c(/C=C3c4ccccc4COc4cc(F)ccc43)cccc21 Homo sapiens CHEMBL3776777 assay format
CHEMBL103 OBDepict O CH 3 H H H CH 3 H O CH 3 IC50 = 14.0 nM 314.47 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C Homo sapiens CHEMBL729167 single protein format
CHEMBL3643658 OBDepict NH 2 HN O N N N H 3 C IC50 = 14.0 nM 293.33 Cc1ccc(-n2nccc2-c2ccnc(NC(N)=O)c2)cc1 Homo sapiens CHEMBL3705363 assay format
CHEMBL2407646 OBDepict H 3 C O O N H CH 3 O O O N O CH 3 H IC50 = 14.0 nM 494.59 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)C3CCCCC3)C2=O)cc(OC)c1 Homo sapiens CHEMBL2411354 single protein format
CHEMBL1370 OBDepict CH 3 O O H O CH 3 H HO H H HO H CH 3 O IC50 = 14.0 nM 430.54 CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 Homo sapiens CHEMBL4031194 cell-based format
CHEMBL4792628 OBDepict CH 3 O O N CH 3 N H Cl S O O CH 3 IC50 = 15.0 nM 420.92 CC[C@](C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc21 Homo sapiens CHEMBL4717253 single protein format
CHEMBL1215130 OBDepict N Cl N N H O CH 3 O OH IC50 = 15.2 nM 423.9 COc1cc(C2=NN(c3ccc(C#N)c(Cl)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)O Homo sapiens CHEMBL3265996 single protein format
CHEMBL3775464 OBDepict HO O N O N H O F Ki = 16.0 nM 498.55 O=C(O)CCN1CCC2(CC1)C(=O)Nc1cc(/C=C3c4ccccc4COc4cc(F)ccc43)ccc12 Homo sapiens CHEMBL3776777 assay format
CHEMBL3918276 OBDepict H 2 N O H N O O Cl NH O O IC50 = 16.0 nM 401.81 NC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2 Homo sapiens CHEMBL3888754 assay format
CHEMBL3692347 OBDepict O H H H H 3 C H H CH 3 O IC50 = 17.0 nM 326.48 C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34C=CCO4)[C@@H]21 Homo sapiens CHEMBL3706043 assay format
CHEMBL3263761 OBDepict CH 3 HN O O N CH 3 N N H H 3 C N IC50 = 17.8 nM 417.51 CNC(=O)c1ccc(C2=NN(c3ccc(C#N)c(C)c3)[C@@H](C3CCCC3)C2)nc1OC Homo sapiens CHEMBL3265996 single protein format
CHEMBL4094464 OBDepict H 3 C O O H 3 C N CH 3 O O H 3 C O IC50 = 18.0 nM 419.48 COC(=O)c1c(C)nc(C)c(C(=O)CC2CCC2)c1-c1cccc2c(=O)cc(C)oc12 Homo sapiens CHEMBL4008023 cell-based format
CHEMBL2181927 OBDepict CH 3 O N HN H H 3 C CH 3 O NH 2 O CH 3 N IC50 = 18.0 nM 378.43 CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2 Homo sapiens CHEMBL2319267 single protein format
CHEMBL3263755 OBDepict N H 3 C N N N H O CH 3 O OH IC50 = 18.0 nM 404.47 COc1cc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)O Homo sapiens CHEMBL3265996 single protein format
CHEMBL3774852 OBDepict F O N H O + N _ O CH 3 Ki = 19.0 nM 456.52 C[N+]1([O-])CCC2(CC1)C(=O)Nc1cc(/C=C3c4ccccc4COc4cc(F)ccc43)ccc12 Homo sapiens CHEMBL3776777 assay format
CHEMBL3774871 OBDepict CH 3 N O N H O F IC50 = 19.0 nM 440.52 CN1CCC2(CC1)C(=O)Nc1cc(/C=C3c4ccccc4COc4cc(F)ccc43)ccc12 Homo sapiens CHEMBL3776776 assay format
CHEMBL4066981 OBDepict CH 3 O H 3 C O H 3 C HN CH 3 O O F F F CH 3 O IC50 = 19.0 nM 449.43 CC1=C(C(=O)OC(C)C)C(c2cccc3c(=O)cc(C)oc23)C(C(=O)C(F)(F)F)=C(C)N1 Homo sapiens CHEMBL4008023 cell-based format
CHEMBL3775710 OBDepict O N H O F F Ki = 20.0 nM 289.28 O=C1COc2ccc(CCc3ccc(F)cc3F)cc2N1 Homo sapiens CHEMBL3776777 assay format
CHEMBL4528746 OBDepict H 3 C N N OH H 3 C N H S F F F O O CH 3 IC50 = 20.0 nM 441.48 CC[C@@](c1ccc(C(F)(F)F)cc1)(C(C)O)n1ncc2c(NS(C)(=O)=O)cccc21 Homo sapiens CHEMBL4342250 single protein format
CHEMBL302362 OBDepict CH 3 H 3 C CH 3 HN O H 3 C IC50 < 20.0 nM 379.5 CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1ccccc1-3 Homo sapiens CHEMBL654293 cell-based format
CHEMBL397919 OBDepict HO N H 3 C S O H 3 C NH O OH CH 3 H 3 C CH 3 Ki = 21.0 nM 474.58 COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1/C(C)=N/O)O2)C(C)=CC(C)(C)N3 Homo sapiens CHEMBL896164 single protein format