HOME LIGAND hPROTEOME OTHERS DOCUMENT

P48048 | KCNJ1_HUMAN | ATP-sensitive inward rectifier potassium channel 1 (KCNJ1)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL3696475 OBDepict H OH N CH 3 O N O HO H CH 3 O O IC50 = 6.0 nM 466.53 Cc1c([C@@H](O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O Homo sapiens CHEMBL4427473 single protein format
CHEMBL4548110 OBDepict CH 3 O N N N N H HO H CH 3 O O IC50 = 6.2 nM 432.48 CCOc1cc(-n2cc(CNC[C@H](O)c3ccc4c(c3C)COC4=O)cn2)ccc1C#N Homo sapiens CHEMBL4322078 cell-based format
CHEMBL4563446 OBDepict N CH 3 N S N H OH H CH 3 O O IC50 = 6.6 nM 419.51 Cc1cc(-c2ncc(CNC[C@H](O)c3ccc4c(c3C)COC4=O)s2)ccc1C#N Homo sapiens CHEMBL4322078 cell-based format
CHEMBL4549009 OBDepict N N H 3 C N O N H CH 3 N H H CH 3 O O IC50 = 6.6 nM 443.51 Cc1cc(-c2cc(CN3C[C@H](C)N[C@H](c4ccc5c(c4C)COC5=O)C3)on2)ncc1C#N Homo sapiens CHEMBL4322078 cell-based format
CHEMBL3808666 OBDepict O O N O H CH 3 N HO H N N N N IC50 = 7.0 nM 450.5 C[C@@H]1CC2(CCN(C[C@@H](O)c3ccc4c(c3)-c3nnnn3C4)CC2)C(=O)N1C1=CC(=O)OC1 Homo sapiens CHEMBL3811738 cell-based format
CHEMBL4062753 OBDepict O N S N N OH H CH 3 O O IC50 = 8.0 nM 427.53 Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccns2)C3=O)ccc2c1COC2=O Homo sapiens CHEMBL4030011 cell-based format
CHEMBL4462473 OBDepict N N N N N HN H CH 3 O O IC50 = 8.8 nM 414.47 Cc1c([C@@H]2CN(Cc3ccc(-n4cc(C#N)cn4)cn3)CCN2)ccc2c1COC2=O Homo sapiens CHEMBL4322078 cell-based format
CHEMBL3622114 OBDepict N N N N N OH H CH 3 O O IC50 = 9.0 nM 447.54 Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2cnc(C#N)cn2)CC3)ccc2c1COC2=O Homo sapiens CHEMBL3626480 cell-based format
CHEMBL3808614 OBDepict O O CH 3 N O N HO H Cl N N N N IC50 = 9.0 nM 484.94 CC1=C(N2CCC3(CCN(C[C@@H](O)c4cc5c(cc4Cl)Cn4nnnc4-5)CC3)C2=O)COC1=O Homo sapiens CHEMBL3811738 cell-based format
CHEMBL3696477 OBDepict H HO N CH 3 O N O OH H CH 3 O O IC50 = 9.0 nM 466.53 Cc1c([C@H](O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O Homo sapiens CHEMBL4427470 cell-based format
CHEMBL3904469 OBDepict CH 3 O O N O N OH H CH 3 O O IC50 = 10.0 nM 454.52 CC1=C(N2CCCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3893871 OBDepict O O N O H CH 3 N OH H CH 3 O O IC50 = 10.0 nM 440.5 Cc1c([C@@H](O)CN2CCC3(CC2)C[C@H](C)N(C2=CC(=O)OC2)C3=O)ccc2c1COC2=O Homo sapiens CHEMBL3887676 assay format
CHEMBL4108107 OBDepict H 3 C O O N O N H 3 C H OH H CH 3 O O IC50 = 10.0 nM 454.52 CC1=C(N2CCC3(CCN([C@H](C)[C@@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O Homo sapiens CHEMBL3887676 assay format
CHEMBL4079335 OBDepict N N N O N OH H CH 3 O O IC50 = 10.0 nM 446.51 Cc1c([C@@H](O)CN2CCC3(CC2)CC(=O)N(c2cncc(C#N)c2)C3)ccc2c1COC2=O Homo sapiens CHEMBL4004311 cell-based format
CHEMBL3622105 OBDepict N N N N HO H H 3 C O O IC50 = 10.0 nM 432.52 Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(C#N)cn2)C3)ccc2c1COC2=O Homo sapiens CHEMBL3626480 cell-based format
CHEMBL3976313 OBDepict CH 3 O H N CH 3 O O O N O H 3 C O IC50 = 10.0 nM 480.56 CO[C@@H](CN1C2CCC1CC1(CCN(C3=C(C)C(=O)OC3)C1=O)C2)c1ccc2c(c1C)COC2=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3906183 OBDepict H 3 C O O N O N CH 3 O O IC50 = 10.0 nM 424.5 CC1=C(N2CCC3(CCN(CCc4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3902424 OBDepict CH 3 N O O N O HO H CH 3 O O IC50 = 10.0 nM 454.52 CCC1CC2(CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)C(=O)N1C1=CC(=O)OC1 Homo sapiens CHEMBL3887676 assay format
CHEMBL3962588 OBDepict Cl O O N O N OH H CH 3 O O IC50 = 10.0 nM 460.91 Cc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=C(Cl)C(=O)OC2)C3=O)ccc2c1COC2=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3897405 OBDepict CH 3 O O N O N OH O O IC50 = 10.0 nM 466.53 CC1=C(N2CCC3(CCN(CC(O)c4ccc5c(c4C4CC4)COC5=O)CC3)C2=O)COC1=O Homo sapiens CHEMBL3887676 assay format
CHEMBL4066423 OBDepict N N N N HO H H 3 C O O IC50 = 10.0 nM 432.52 Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2cncc(C#N)c2)C3)ccc2c1COC2=O Homo sapiens CHEMBL4004311 cell-based format
CHEMBL3906190 OBDepict H 3 C O O N O N H 3 C H OH H CH 3 O O IC50 = 10.0 nM 454.52 CC1=C(N2CCC3(CCN([C@@H](C)[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3622112 OBDepict N N CH 3 N N OH H CH 3 O O IC50 = 10.1 nM 446.55 Cc1cc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)cnc1C#N Homo sapiens CHEMBL3626480 cell-based format
CHEMBL3622104 OBDepict N N N O N OH H CH 3 O O IC50 = 10.5 nM 446.51 Cc1c([C@@H](O)CN2CCC3(CC2)CC(=O)N(c2ccc(C#N)cn2)C3)ccc2c1COC2=O Homo sapiens CHEMBL3626480 cell-based format
CHEMBL3808611 OBDepict O O H 3 C N O N HO H N N N N IC50 = 11.0 nM 450.5 CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4)-c4nnnn4C5)CC3)C2=O)COC1=O Homo sapiens CHEMBL3811738 cell-based format
CHEMBL3622106 OBDepict N N N O N H 3 C O O IC50 = 12.0 nM 430.51 Cc1c(CCN2CCC3(CC2)CC(=O)N(c2ccc(C#N)cn2)C3)ccc2c1COC2=O Homo sapiens CHEMBL3626480 cell-based format
CHEMBL3663635 OBDepict O O CH 3 N N CH 3 CH 3 O O IC50 = 12.0 nM 448.56 Cc1c(CCN2CCN(CC(C)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O Homo sapiens CHEMBL3705830 single protein format
CHEMBL3696476 OBDepict H OH N CH 3 O N O HO H CH 3 O O IC50 = 12.0 nM 466.53 Cc1c([C@H](O)CN2CCN(C[C@@H](O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O Homo sapiens CHEMBL4427470 cell-based format
CHEMBL3622115 OBDepict N N N N N HO H CH 3 O O IC50 = 13.0 nM 447.54 Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(C#N)nn2)CC3)ccc2c1COC2=O Homo sapiens CHEMBL3626480 cell-based format
CHEMBL4106465 OBDepict H 3 C O HO H O N N HO H N N N N N IC50 = 14.0 nM 465.51 Cc1c([C@@H](O)CN2CCN(C[C@@H](O)c3ccc(-n4cnnn4)nc3)CC2)ccc2c1COC2=O Homo sapiens CHEMBL3887291 cell-based format
CHEMBL3622113 OBDepict N N N N N HO H CH 3 O O IC50 = 14.0 nM 447.54 Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ncc(C#N)cn2)CC3)ccc2c1COC2=O Homo sapiens CHEMBL3626480 cell-based format
CHEMBL4103004 OBDepict CH 3 O N N N O N OH H CH 3 O O IC50 = 14.0 nM 452.51 COc1nccc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)n1 Homo sapiens CHEMBL4030011 cell-based format
CHEMBL3622111 OBDepict N N N O N NH 2 H CH 3 O O IC50 = 14.0 nM 445.52 Cc1c([C@@H](N)CN2CCC3(CC2)CC(=O)N(c2ccc(C#N)cn2)C3)ccc2c1COC2=O Homo sapiens CHEMBL3626480 cell-based format
CHEMBL3622107 OBDepict N CH 3 N N N OH H CH 3 O O IC50 = 14.0 nM 446.55 Cc1nc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)ccc1C#N Homo sapiens CHEMBL3626480 cell-based format
CHEMBL3808836 OBDepict O O N O H CH 3 N HO H N N N N IC50 = 14.0 nM 450.5 C[C@H]1CC2(CCN(C[C@@H](O)c3ccc4c(c3)-c3nnnn3C4)CC2)C(=O)N1C1=CC(=O)OC1 Homo sapiens CHEMBL3811738 cell-based format
CHEMBL3622110 OBDepict N N N HO H H 3 C O O IC50 = 15.0 nM 431.54 Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(C#N)cc2)C3)ccc2c1COC2=O Homo sapiens CHEMBL3626480 cell-based format
CHEMBL4559965 OBDepict OH N CH 3 O N O OH CH 3 O O IC50 = 15.0 nM 466.53 Cc1c(C(O)CN2CCN(CC(O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O Homo sapiens CHEMBL4427470 cell-based format
CHEMBL3612928 OBDepict N N O D D D OH N N HO H CH 3 O O IC50 = 16.0 nM 455.53 [2H]C([2H])([2H])Oc1cc(C(O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ncc1C#N Homo sapiens CHEMBL3615682 cell-based format
CHEMBL3808714 OBDepict O O CH 3 N O N HO H H 3 C N N N N IC50 = 17.0 nM 464.53 CC1=C(N2CCC3(CCN(C[C@H](O)c4cc5c(cc4C)Cn4nnnc4-5)CC3)C2=O)COC1=O Homo sapiens CHEMBL3811738 cell-based format
CHEMBL3663633 OBDepict N F Cl N N H 3 C O O IC50 = 17.0 nM 441.93 Cc1c(CCN2CCN(CCc3ccc(C#N)c(F)c3Cl)CC2)ccc2c1COC2=O Homo sapiens CHEMBL3705830 single protein format
CHEMBL3622108 OBDepict N N CH 3 N N OH H CH 3 O O IC50 = 17.0 nM 446.55 Cc1cc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)ncc1C#N Homo sapiens CHEMBL3626480 cell-based format
CHEMBL4113065 OBDepict O O H H 3 C HO H N N OH H CH 3 O O IC50 = 17.5 nM 480.56 Cc1c([C@@H](O)CN2CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)OC4=O)CC2)ccc2c1COC2=O Homo sapiens CHEMBL3887291 cell-based format
CHEMBL4075906 OBDepict CH 3 N S N O N OH H CH 3 O O IC50 = 18.0 nM 441.55 Cc1cc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)sn1 Homo sapiens CHEMBL4030011 cell-based format
CHEMBL4109160 OBDepict CH 3 O N N OH N N HO O O H CH 3 IC50 = 18.0 nM 466.54 COc1cc(C(O)CN2CCN(CC(O)c3ccc4c(c3)C[C@@H](C)OC4=O)CC2)ncc1C#N Homo sapiens CHEMBL3887291 cell-based format
CHEMBL3964482 OBDepict N F H 3 C H O N H N O N N N N N N IC50 = 18.0 nM 463.48 Cc1c([C@@H]2CN3CCN(C(=O)Cc4cnc(-n5cnnn5)nc4)C[C@H]3CO2)ccc(F)c1C#N Homo sapiens CHEMBL3869647 cell-based format
CHEMBL3810281 OBDepict O O H 3 C N O N HO H N N N N IC50 = 19.0 nM 450.5 CC1=C(N2CCC3(CCN(C[C@@H](O)c4ccc5c(c4)-c4nnnn4C5)CC3)C2=O)COC1=O Homo sapiens CHEMBL3811738 cell-based format
CHEMBL3913475 OBDepict H 3 C O O N O N OH H CH 3 O O IC50 = 20.0 nM 440.5 CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O Homo sapiens CHEMBL3887676 assay format
CHEMBL4114084 OBDepict O O N O H CH 3 N OH H CH 3 O O IC50 = 20.0 nM 440.5 Cc1c([C@@H](O)CN2CCC3(CC2)C[C@@H](C)N(C2=CC(=O)OC2)C3=O)ccc2c1COC2=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3966873 OBDepict O O N O N OH H CH 3 O O IC50 = 20.0 nM 440.5 Cc1c([C@@H](O)CN2CCC3(CCCN(C4=CC(=O)OC4)C3=O)CC2)ccc2c1COC2=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3959750 OBDepict _ C + N F H O N H N O N N N N N IC50 = 20.0 nM 448.46 [C-]#[N+]c1cc([C@@H]2CN3CCN(C(=O)Cc4ccc(-n5cnnn5)nc4)C[C@H]3CO2)ccc1F Homo sapiens CHEMBL3887693 cell-based format
CHEMBL4112984 OBDepict H 3 C O O N O N F H CH 3 O O IC50 = 20.0 nM 442.49 CC1=C(N2CCC3(CCN(C[C@@H](F)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3962455 OBDepict O O N O N OH H CH 3 O O IC50 = 20.0 nM 466.53 Cc1c([C@@H](O)CN2CCC3(CC2)CC(C2CC2)N(C2=CC(=O)OC2)C3=O)ccc2c1COC2=O Homo sapiens CHEMBL3887676 assay format
CHEMBL4112308 OBDepict CH 3 N O O N O HO H CH 3 O O IC50 = 20.0 nM 454.52 CCC1CC2(CCN(C[C@@H](O)c3ccc4c(c3C)COC4=O)CC2)C(=O)N1C1=CC(=O)OC1 Homo sapiens CHEMBL3887676 assay format
CHEMBL3810197 OBDepict O O N O H CH 3 N HO H N N N N IC50 = 20.0 nM 450.5 C[C@H]1CC2(CCN(C[C@H](O)c3ccc4c(c3)-c3nnnn3C4)CC2)C(=O)N1C1=CC(=O)OC1 Homo sapiens CHEMBL3811738 cell-based format
CHEMBL3622109 OBDepict N N H 3 C N N OH H CH 3 O O IC50 = 20.0 nM 446.55 Cc1cc(C#N)cnc1N1CCC2(CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)C1 Homo sapiens CHEMBL3626480 cell-based format
CHEMBL3692706 OBDepict O N N N N N N N CH 3 O O IC50 = 20.0 nM 447.5 Cc1c(CCN2CCN(C(=O)Cc3ccc(-n4cnnn4)nc3)CC2)ccc2c1COC2=O Homo sapiens CHEMBL3797006 cell-based format
CHEMBL3901468 OBDepict H 3 C O O N O N OH H CH 3 O O IC50 = 20.0 nM 440.5 CC1=C(N2CCC3(CCN(C[C@H](O)c4cc5c(cc4C)C(=O)OC5)CC3)C2=O)COC1=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3924649 OBDepict O O N CH 3 O N HO H CH 3 O O IC50 = 20.0 nM 466.53 Cc1c([C@@H](O)CN2C3CCC2CC2(CC(C)N(C4=CC(=O)OC4)C2=O)C3)ccc2c1COC2=O Homo sapiens CHEMBL3887676 assay format
CHEMBL4108052 OBDepict O O N CH 3 O N HO H CH 3 O O IC50 = 20.0 nM 466.53 Cc1c([C@H](O)CN2C3CCC2CC2(CC(C)N(C4=CC(=O)OC4)C2=O)C3)ccc2c1COC2=O Homo sapiens CHEMBL3887676 assay format
CHEMBL4110200 OBDepict CH 3 N O O H 3 C N O OH H CH 3 O O IC50 = 20.0 nM 454.52 CC1=C(N2C(=O)C3(CCN(C[C@@H](O)c4ccc5c(c4C)COC5=O)CC3)CC2C)COC1=O Homo sapiens CHEMBL3887676 assay format
CHEMBL4086822 OBDepict O N S N N OH H CH 3 O O IC50 = 20.0 nM 427.53 Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2cnsc2)C3=O)ccc2c1COC2=O Homo sapiens CHEMBL4030011 cell-based format
CHEMBL3915907 OBDepict CH 3 O N N OH N N OH H CH 3 O O IC50 = 21.0 nM 504.59 COc1cc(C(O)CN2C3CCC2C2CCC3N2C[C@H](O)c2ccc3c(c2C)COC3=O)ncc1C#N Homo sapiens CHEMBL3887291 cell-based format
CHEMBL3915018 OBDepict O O N N OH H CH 3 O O IC50 = 21.0 nM 450.54 Cc1c([C@@H](O)CN2CCN(CCc3ccc4c(c3)CCOC4=O)CC2)ccc2c1COC2=O Homo sapiens CHEMBL3887291 cell-based format
CHEMBL4075319 OBDepict CH 3 O N N S N O N OH H CH 3 O O IC50 = 23.0 nM 458.54 COc1nsc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)n1 Homo sapiens CHEMBL4030011 cell-based format
CHEMBL3612926 OBDepict CH 3 O N N OH N N HO H CH 3 O O IC50 = 24.0 nM 466.54 CCOc1cc(C(O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ncc1C#N Homo sapiens CHEMBL3615682 cell-based format
CHEMBL3895051 OBDepict CH 3 N N OH H N N N N N OH H CH 3 O O IC50 = 24.0 nM 479.54 Cc1nc(-n2cnnn2)ccc1[C@H](O)CN1CCN(C[C@H](O)c2ccc3c(c2C)COC3=O)CC1 Homo sapiens CHEMBL3887291 cell-based format
CHEMBL3792978 OBDepict O N N N N F N N N CH 3 O O IC50 = 26.0 nM 465.49 Cc1c(C(F)CN2CCN(C(=O)Cc3ccc(-n4cnnn4)nc3)CC2)ccc2c1COC2=O Homo sapiens CHEMBL3797006 cell-based format
CHEMBL4059846 OBDepict H 3 C O HO H O N N S N IC50 = 27.0 nM 413.54 Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccns2)C3)ccc2c1COC2=O Homo sapiens CHEMBL4030011 cell-based format
CHEMBL3964139 OBDepict N H 3 C H O N H N O N N N N N IC50 = 27.0 nM 444.5 Cc1c(C#N)cccc1[C@@H]1CN2CCN(C(=O)Cc3ccc(-n4cnnn4)nc3)C[C@@H]2CO1 Homo sapiens CHEMBL3869647 cell-based format
CHEMBL3914024 OBDepict N F N N N H 3 C O O IC50 = 27.46 nM 416.46 Cc1c(CCN2CCc3c(cnn3-c3ccc(C#N)c(F)c3)C2)ccc2c1COC2=O Homo sapiens CHEMBL3871115 cell-based format
CHEMBL4465260 OBDepict N N N N N OH CH 3 O O IC50 = 28.0 nM 465.51 Cc1c(C(O)CN2CCc3nc(-n4cc(C#N)c5ccccc54)ncc3C2)ccc2c1COC2=O Homo sapiens CHEMBL4322078 cell-based format
CHEMBL3794155 OBDepict O N N N N N N N O O IC50 = 29.0 nM 433.47 O=C1OCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)nc4)CC3)ccc21 Homo sapiens CHEMBL3797006 cell-based format
CHEMBL4114504 OBDepict O O H H 3 C HO H N N OH H CH 3 O O IC50 = 29.0 nM 480.56 Cc1c([C@@H](O)CN2CCN(C[C@@H](O)c3ccc4c(c3)C[C@@H](C)OC4=O)CC2)ccc2c1COC2=O Homo sapiens CHEMBL3887291 cell-based format
CHEMBL3954047 OBDepict CH 3 N N OH H N N N N N OH H CH 3 O O IC50 = 29.0 nM 479.54 Cc1cc(-n2cnnn2)ncc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3c(c2C)COC3=O)CC1 Homo sapiens CHEMBL3887291 cell-based format
CHEMBL3946181 OBDepict _ C + N N OH N O N HO H CH 3 O O IC50 = 29.5 nM 464.52 [C-]#[N+]c1ccc(C(O)CN2C3COCC2CN(C[C@H](O)c2ccc4c(c2C)COC4=O)C3)nc1 Homo sapiens CHEMBL3887291 cell-based format
CHEMBL3961509 OBDepict H 3 C O O N O O N OH H CH 3 O O IC50 = 30.0 nM 454.48 CC1=C(N2CC(=O)C3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3921543 OBDepict O O N CH 3 O N OH H CH 3 O O IC50 = 30.0 nM 438.48 CC1=CC2(CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)C(=O)N1C1=CC(=O)OC1 Homo sapiens CHEMBL3887676 assay format
CHEMBL4110777 OBDepict H 3 C O O N O N OH H CH 3 O O IC50 = 30.0 nM 440.5 CC1=C(N2CCC3(CCN(C[C@@H](O)c4cc5c(cc4C)C(=O)OC5)CC3)C2=O)COC1=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3975216 OBDepict O O CH 3 HO H N N O OH H CH 3 O O IC50 = 30.0 nM 508.57 Cc1c([C@@H](O)CN2CC3COCC(C2)N3C[C@H](O)c2ccc3c(c2C)COC3=O)ccc2c1COC2=O Homo sapiens CHEMBL3887291 cell-based format
CHEMBL3967802 OBDepict F O O N O N OH H CH 3 O O IC50 = 30.0 nM 444.46 Cc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=C(F)C(=O)OC2)C3=O)ccc2c1COC2=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3918213 OBDepict O O N H 3 C O N OH H CH 3 O O IC50 = 30.0 nM 440.5 Cc1c([C@@H](O)CN2CCC3(CC2)CC(C)N(C2=CC(=O)OC2)C3=O)ccc2c1COC2=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3916760 OBDepict H 3 C O H N CH 3 O O O N O CH 3 O IC50 = 30.0 nM 468.55 CCO[C@@H](CN1CCC2(CC1)CCN(C1=C(C)C(=O)OC1)C2=O)c1ccc2c(c1C)COC2=O Homo sapiens CHEMBL3887676 assay format
CHEMBL4109988 OBDepict H 3 C O O N O N OH H CH 3 O O IC50 = 30.0 nM 440.5 CC1=C(N2CCC3(CCN(C[C@@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3895661 OBDepict O O N O N OH H CH 3 O O IC50 = 30.0 nM 426.47 Cc1c([C@@H](O)CN2CCC3(CC2)CCN(C2=CC(=O)OC2)C3=O)ccc2c1COC2=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3938047 OBDepict H 3 C O O N O N OH H CH 3 O O IC50 = 30.0 nM 438.48 CC1=C(N2C=CC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O Homo sapiens CHEMBL3887676 assay format
CHEMBL3809742 OBDepict O O CH 3 N O N HO H Cl N N N N IC50 = 31.0 nM 484.94 CC1=C(N2CCC3(CCN(C[C@H](O)c4cc5c(cc4Cl)Cn4nnnc4-5)CC3)C2=O)COC1=O Homo sapiens CHEMBL3811738 cell-based format
CHEMBL3919535 OBDepict O O H H 3 C HO H N N OH H CH 3 O O IC50 = 31.5 nM 480.56 Cc1c([C@@H](O)CN2CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)OC4=O)CC2)ccc2c1COC2=O Homo sapiens CHEMBL3887291 cell-based format
CHEMBL3809005 OBDepict O O N O H CH 3 N HO H N N N N IC50 = 32.0 nM 450.5 C[C@@H]1CC2(CCN(C[C@H](O)c3ccc4c(c3)-c3nnnn3C4)CC2)C(=O)N1C1=CC(=O)OC1 Homo sapiens CHEMBL3811738 cell-based format
CHEMBL3916282 OBDepict O O H H 3 C N N O OH H CH 3 O O IC50 = 32.0 nM 506.6 Cc1c([C@@H](O)CN2C3COCC2CN(CCc2ccc4c(c2)C[C@H](C)OC4=O)C3)ccc2c1COC2=O Homo sapiens CHEMBL3887291 cell-based format
CHEMBL3612810 OBDepict CH 3 O N N OH H N N HO H CH 3 O O IC50 = 32.0 nM 452.51 COc1cc([C@@H](O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ncc1C#N Homo sapiens CHEMBL3615682 cell-based format
CHEMBL3968305 OBDepict CH 3 N N OH H N N N N N OH H CH 3 O O IC50 = 32.5 nM 479.54 Cc1cc(-n2cnnn2)ncc1[C@H](O)CN1CCN(C[C@H](O)c2ccc3c(c2C)COC3=O)CC1 Homo sapiens CHEMBL3887291 cell-based format
CHEMBL4111169 OBDepict O O H H 3 C N N OH H CH 3 O O IC50 = 33.0 nM 464.56 Cc1c([C@@H](O)CN2CCN(CCc3ccc4c(c3)C[C@@H](C)OC4=O)CC2)ccc2c1COC2=O Homo sapiens CHEMBL3887291 cell-based format
CHEMBL3974889 OBDepict N F H 3 C H O N H N O N N N N N N IC50 = 33.0 nM 463.48 Cc1c([C@@H]2CN3CCN(C(=O)Cc4cnc(-n5cnnn5)cn4)C[C@H]3CO2)ccc(F)c1C#N Homo sapiens CHEMBL3869647 cell-based format
CHEMBL3696479 OBDepict O O CH 3 N N OH CH 3 O O IC50 = 34.0 nM 450.54 Cc1c(CCN2CCN(CC(O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O Homo sapiens CHEMBL4427467 single protein format
CHEMBL4069245 OBDepict O N N N N H 3 C O OH H CH 3 O O IC50 = 35.0 nM 452.51 Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccc(=O)n(C)n2)C3=O)ccc2c1COC2=O Homo sapiens CHEMBL4030011 cell-based format
CHEMBL3612796 OBDepict H 3 C O N N N H 3 C O O IC50 = 35.0 nM 419.53 COc1cc(CCN2CCN(CCc3ccc4c(c3C)COC4=O)CC2)ccc1C#N Homo sapiens CHEMBL3615682 cell-based format
CHEMBL3926414 OBDepict H 3 C O HO H O N N HO H N N N N N IC50 = 35.0 nM 465.51 Cc1c([C@@H](O)CN2CCN(C[C@H](O)c3ccc(-n4cnnn4)nc3)CC2)ccc2c1COC2=O Homo sapiens CHEMBL3887291 cell-based format
CHEMBL4172084 OBDepict CH 3 N N O HN O S H 3 C NH O O O N IC50 = 35.0 nM 453.48 Cc1noc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(-c4cnco4)cc3)c2)n1 Homo sapiens CHEMBL4144993 cell-based format
CHEMBL3810184 OBDepict O O H 3 C N O H F N HO H N N N N IC50 = 35.0 nM 468.49 CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4)-c4nnnn4C5)C[C@@H]3F)C2=O)COC1=O Homo sapiens CHEMBL3811738 cell-based format
CHEMBL3911740 OBDepict N F H 3 C H O N H N O N N N N N IC50 = 36.0 nM 462.49 Cc1c([C@@H]2CN3CCN(C(=O)Cc4ccc(-n5cnnn5)nc4)C[C@H]3CO2)ccc(F)c1C#N Homo sapiens CHEMBL3869647 cell-based format