HOME LIGAND hPROTEOME OTHERS DOCUMENT

P32239 | GASR_HUMAN | Gastrin/cholecystokinin type B receptor (CCKBR)

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
CHEMBL2093059 OBDepict H N N N N N H 3 C HN N H O H N O N H 3 C IC50 = 0.054 nM 487.57 CN1C(=O)[C@H](NC(=O)Nc2cccc(N(C)c3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 Homo sapiens CHEMBL662572 cell membrane format
CHEMBL2110201 OBDepict H N N N N HN CH 3 N H NH O H N O N CH 3 IC50 = 0.074 nM 487.57 Cc1ccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)cc1Nc1nn[nH]n1 Homo sapiens CHEMBL662572 cell membrane format
CHEMBL49085 OBDepict H 3 C NH HN O N O N F N O IC50 = 0.087 nM 567.67 Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3ccccc3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 Homo sapiens CHEMBL662566 assay format
CHEMBL4282712 OBDepict H 3 C N H N H N H O N O N N O CH 3 CH 3 H 3 C IC50 = 0.1 nM 498.59 CNc1cccc(NC(=O)NC2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 Homo sapiens CHEMBL4262739 single protein format
CHEMBL420783 OBDepict H 3 C NH N H O H N O N N H 3 C IC50 = 0.1 nM 445.57 Cc1cccc(NC(=O)N[C@@H]2N=C(N3CC4CCC(CC4)C3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL662569 assay format
CHEMBL431919 OBDepict O NH N H 3 C H 3 C CH 3 O H N H CH 3 H N H O O HO IC50 = 0.1 nM 548.68 Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)O)c1)C[C@@H]2C1CCCCC1 Homo sapiens CHEMBL652234 tissue-based format
CHEMBL545122 OBDepict H 3 C NH NH O H N O N N H 3 C ClH IC50 = 0.1 nM 482.03 Cc1cccc(NC(=O)N[C@@H]2N=C(N3CC4CCC(CC4)C3)c3ccccc3N(C)C2=O)c1.Cl Homo sapiens CHEMBL657472 assay format
CHEMBL166941 OBDepict H N N N N N NH NH O H N O N H 3 C IC50 = 0.11 nM 493.53 CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)N(c2nn[nH]n2)CC3)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL662572 cell membrane format
CHEMBL349730 OBDepict H N N N N N H NH O H N O N CH 3 H 3 C IC50 = 0.142 nM 494.56 CC(C)CN1C(=O)[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL657473 single protein format
CHEMBL168263 OBDepict H N N N N N H HN N H O H N O N CH 3 IC50 = 0.2 nM 473.54 CN1C(=O)[C@H](NC(=O)Nc2cccc(Nc3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 Homo sapiens CHEMBL662572 cell membrane format
CHEMBL137516 OBDepict H 3 C O N H HN O N O N N O H 3 C CH 3 IC50 = 0.22 nM 513.6 CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(OC)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL294161 OBDepict O N H N H H O N H N N NH O N N H 3 C H H 3 C H 3 C H 3 C IC50 = 0.22 nM 572.71 Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2C1CCCCC1 Homo sapiens CHEMBL652234 tissue-based format
CHEMBL137726 OBDepict H 3 C O N H N H O N O N N O IC50 = 0.24 nM 511.58 COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1 Homo sapiens CHEMBL656248 single protein format
CHEMBL75490 OBDepict O N H N H N O N CH 3 S NH O O O IC50 = 0.24 nM 573.68 CN1C(=O)C(NC(=O)Nc2cccc(S(=O)(=O)NC(=O)c3ccccc3)c2)N=C(C2CCCCC2)c2ccccc21 Homo sapiens CHEMBL662559 assay format
CHEMBL351891 OBDepict OH O N N N H N H O H N O N H 3 C IC50 = 0.266 nM 468.47 CN1C(=O)[C@@H](NC(=O)Nc2ccc(-c3noc(O)n3)cc2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL657473 single protein format
CHEMBL305649 OBDepict O N H NH H N O N H 3 C HN O S O O CH 3 IC50 = 0.27 nM 587.7 Cc1ccccc1S(=O)(=O)NC(=O)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL662559 assay format
CHEMBL58699 OBDepict CH 3 N H N H O H N O N H 3 C IC50 = 0.28 nM 404.51 Cc1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL657472 assay format
CHEMBL2110202 OBDepict H N N N N N H N H N H O H N O N H 3 C IC50 = 0.28 nM 487.57 CN1C(=O)[C@H](NC(=O)Nc2cccc(CNc3nn[nH]n3)c2)N=C(C2CCCCC2)c2ccccc21 Homo sapiens CHEMBL662572 cell membrane format
CHEMBL168253 OBDepict H N N N N N CH 3 CH 3 N H N H O H N O N CH 3 IC50 = 0.3 nM 501.6 Cc1ccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)cc1N(C)c1nn[nH]n1 Homo sapiens CHEMBL662572 cell membrane format
CHEMBL75536 OBDepict O N H NH N O N CH 3 HN O S O O H 3 C H 3 C IC50 = 0.3 nM 539.66 CC(C)S(=O)(=O)NC(=O)c1cccc(NC(=O)NC2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL662559 assay format
CHEMBL441989 OBDepict O N H HN N O N H 3 C S HN O O O CH 3 IC50 = 0.36 nM 511.6 CC(=O)NS(=O)(=O)c1cccc(NC(=O)NC2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL662559 assay format
CHEMBL299800 OBDepict O N H HN N O N CH 3 F N O H 3 C IC50 = 0.47 nM 581.69 Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 Homo sapiens CHEMBL662566 assay format
CHEMBL291458 OBDepict O HN N CH 3 CH 3 H 3 C O H N H H 3 C H N H O Cl IC50 = 0.48 nM 533.07 Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 Homo sapiens CHEMBL652234 tissue-based format
CHEMBL445095 OBDepict Cl HN HN O N O N N O IC50 = 0.5 nM 516.0 O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O Homo sapiens CHEMBL680912 tissue-based format
CHEMBL349291 OBDepict CH 3 HN N H O N O N N H 3 C IC50 = 0.53 nM 445.57 Cc1cccc(NC(=O)NC2N=C(N3CC4CCC(CC4)C3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL657472 assay format
CHEMBL313813 OBDepict H 3 C N O CH 3 N O HN N N H O N H 3 C IC50 = 0.56 nM 498.59 CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccn2)c2ccccc21 Homo sapiens CHEMBL657484 assay format
CHEMBL75892 OBDepict O N H N H N O N CH 3 N H O S O O CH 3 IC50 = 0.58 nM 511.6 CN1C(=O)C(NC(=O)Nc2cccc(C(=O)NS(C)(=O)=O)c2)N=C(C2CCCCC2)c2ccccc21 Homo sapiens CHEMBL662559 assay format
CHEMBL22003 OBDepict H N N N N N H 3 C HN N H O H N O N H 3 C IC50 = 0.58 nM 481.52 CN1C(=O)[C@H](NC(=O)Nc2cccc(N(C)c3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL662572 cell membrane format
CHEMBL306944 OBDepict O N H N H N O N CH 3 N H O S O O IC50 = 0.59 nM 573.68 CN1C(=O)C(NC(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccccc3)c2)N=C(C2CCCCC2)c2ccccc21 Homo sapiens CHEMBL662559 assay format
CHEMBL57643 OBDepict H 3 C O O N H N H O H O N H N H O H 3 C CH 3 H 3 C CH 3 IC50 = 0.6 nM 562.71 COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](C3CCCCC3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 Homo sapiens CHEMBL652234 tissue-based format
CHEMBL334100 OBDepict O N H NH H O N H Cl HN O CH 3 CH 3 CH 3 CH 3 IC50 = 0.6 nM 539.12 Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2C1CCCCC1 Homo sapiens CHEMBL653979 assay format
CHEMBL337574 OBDepict H 3 C N O CH 3 N O HN N N H O Cl IC50 = 0.6 nM 518.02 CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL311154 OBDepict O N H N H H N O N CH 3 N H O S O O IC50 = 0.73 nM 573.68 CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccccc3)c2)N=C(C2CCCCC2)c2ccccc21 Homo sapiens CHEMBL662559 assay format
CHEMBL75019 OBDepict O N H NH H N O N H 3 C HN O S O O H 3 C H 3 C IC50 = 0.78 nM 539.66 CC(C)S(=O)(=O)NC(=O)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL662559 assay format
CHEMBL301418 OBDepict O N H N CH 3 H 3 C CH 3 O H N H CH 3 H NH O N N N N H IC50 = 0.81 nM 566.67 Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2c1ccccc1 Homo sapiens CHEMBL652234 tissue-based format
CHEMBL59234 OBDepict O N H N H H O N H N N HN O N N CH 3 H CH 3 CH 3 CH 3 IC50 = 0.88 nM 586.74 Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2CC1CCCCC1 Homo sapiens CHEMBL652234 tissue-based format
CHEMBL292856 OBDepict O N H N H H O N H CH 3 H 3 C N N HN O N N CH 3 H CH 3 CH 3 CH 3 IC50 = 0.98 nM 532.65 Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2C(C)C Homo sapiens CHEMBL652234 tissue-based format
CHEMBL136966 OBDepict CH 3 O O N O N H N N H O O CH 3 IC50 = 1.0 nM 500.56 CCOC(=O)CCN1C(=O)C(NC(=O)Nc2cccc(OC)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL50216 OBDepict H 3 C O N H NH O N O N F N O H 3 C IC50 = 1.0 nM 597.69 COc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3cccc(C)c3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1 Homo sapiens CHEMBL662566 assay format
CHEMBL351854 OBDepict H N N N N N H N H O H N O N H 3 C IC50 = 1.02 nM 452.48 CN1C(=O)[C@@H](NC(=O)Nc2ccc(-c3nn[nH]n3)cc2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL657473 single protein format
CHEMBL125253 OBDepict Cl N H N H O H O N H HN O CH 3 CH 3 H 3 C IC50 = 1.07 nM 525.09 CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](C2CCCCC2)c2ccccc21 Homo sapiens CHEMBL653979 assay format
CHEMBL170275 OBDepict H N N N N HN CH 3 N H NH O H N O N CH 3 IC50 = 1.1 nM 481.52 Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1Nc1nn[nH]n1 Homo sapiens CHEMBL662572 cell membrane format
CHEMBL79565 OBDepict H 3 C N O H N H N H N H N H O H 3 C CH 3 IC50 = 1.2 nM 487.65 CCCN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)CCC3)N=C([C@H]2CC(C)(C)CCN2)c2ccccc21 Homo sapiens CHEMBL657484 assay format
CHEMBL311061 OBDepict CH 3 N H N H O N O N N CH 3 IC50 = 1.25 nM 419.53 Cc1cccc(NC(=O)NC2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL657472 assay format
CHEMBL543712 OBDepict CH 3 HN N H O H N O N N H 3 C ClH IC50 = 1.35 nM 455.99 Cc1cccc(NC(=O)N[C@@H]2N=C(N3CCCCCC3)c3ccccc3N(C)C2=O)c1.Cl Homo sapiens CHEMBL657472 assay format
CHEMBL2092976 OBDepict Cl N H N H O H N O N N O IC50 = 1.4 nM 516.0 O=C(Nc1ccc(Cl)cc1)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O Homo sapiens CHEMBL656248 single protein format
CHEMBL298627 OBDepict H 3 C O O N H N H O H O N H N H O H 3 C CH 3 H 3 C CH 3 IC50 = 1.4 nM 556.66 COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccc(C)cc3N(CC(=O)NC(C)(C)C)C2=O)c1 Homo sapiens CHEMBL652234 tissue-based format
CHEMBL306803 OBDepict O N H N H N O N H 3 C O OH IC50 = 1.4 nM 434.5 CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 Homo sapiens CHEMBL662559 assay format
CHEMBL127521 OBDepict O NH N H 3 C H 3 C CH 3 O H N H CH 3 H N H O Cl IC50 = 1.4 nM 547.1 Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2Cc1ccccc1 Homo sapiens CHEMBL653979 assay format
CHEMBL126865 OBDepict Cl N H N H O H O N H N O H 3 C CH 3 CH 3 CH 3 IC50 = 1.5 nM 533.07 CN(C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccccc21)C(C)(C)C Homo sapiens CHEMBL653979 assay format
CHEMBL313983 OBDepict CH 3 N O H HN N H HN N H O CH 3 CH 3 H 3 C IC50 = 1.5 nM 461.61 CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C([C@H]2CC(C)(C)CCN2)c2ccccc21 Homo sapiens CHEMBL657484 assay format
CHEMBL300776 OBDepict O N H N H H O N H N N HN O N N CH 3 H CH 3 CH 3 CH 3 IC50 = 1.7 nM 580.69 Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[nH]n3)c1)C[C@@H]2Cc1ccccc1 Homo sapiens CHEMBL652234 tissue-based format
CHEMBL9387 OBDepict CH 3 N H N H O H N O N H 3 C Ki = 1.8 nM 398.47 Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL663092 assay format
CHEMBL103119 OBDepict CH 3 N H N H O H N N N H CH 3 IC50 = 1.81 nM 423.52 Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N3C[C@H](C)N=C23)c1 Homo sapiens CHEMBL662569 assay format
CHEMBL124004 OBDepict CH 3 N H O NH O H N H H 3 C H 3 C CH 3 N H O Cl IC50 = 2.0 nM 547.1 CCc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 Homo sapiens CHEMBL653979 assay format
CHEMBL2448131 OBDepict CH 3 O N H N H O H N O N H 3 C IC50 = 2.2 nM 414.47 COc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL656248 single protein format
CHEMBL334305 OBDepict O O N CH 3 CH 3 H 3 C O H N H H 3 C H N H O Cl IC50 = 2.2 nM 534.06 Cc1ccc2c(c1)N(CC(=O)OC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 Homo sapiens CHEMBL653979 assay format
CHEMBL124340 OBDepict O N H N CH 3 H 3 C CH 3 O CH 3 H N H H N H O Cl IC50 = 2.2 nM 533.07 Cc1cccc2c1N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2c1ccccc1 Homo sapiens CHEMBL653979 assay format
CHEMBL83130 OBDepict O N H HN H N O N CH 3 H N H H 3 C CH 3 IC50 = 2.4 nM 459.59 CN1C(=O)[C@H](NC(=O)Nc2ccc3c(c2)CCC3)N=C([C@H]2CC(C)(C)CCN2)c2ccccc21 Homo sapiens CHEMBL657484 assay format
CHEMBL333718 OBDepict CH 3 N H N H O H O N H O O CH 3 H 3 C CH 3 IC50 = 2.5 nM 499.61 Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 Homo sapiens CHEMBL653979 assay format
CHEMBL136038 OBDepict O NH N H N O N CH 3 IC50 = 2.7 nM 424.5 CN1C(=O)C(NC(=O)Nc2ccc3c(c2)CCC3)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL301261 OBDepict O NH N H 3 C H 3 C CH 3 O H N H CH 3 H N H O O HO IC50 = 2.7 nM 542.64 Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)O)c1)C[C@@H]2c1ccccc1 Homo sapiens CHEMBL652234 tissue-based format
CHEMBL137398 OBDepict H 3 C O N H N H O N O N CH 3 IC50 = 3.0 nM 414.47 COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL656248 single protein format
CHEMBL289498 OBDepict CH 3 N H N H O N O N CH 3 IC50 = 3.1 nM 398.47 Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL680912 tissue-based format
CHEMBL38404 OBDepict CH 3 O O N O NH N N H O Cl IC50 = 3.3 nM 490.95 CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL680912 tissue-based format
CHEMBL339547 OBDepict O N H NH H O N H Cl H 3 C CH 3 NH O H 3 C H 3 C H 3 C CH 3 IC50 = 3.4 nM 499.06 Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2C(C)C Homo sapiens CHEMBL653979 assay format
CHEMBL542967 OBDepict CH 3 N N O N O N H N N H O H 3 C ClH IC50 = 3.5 nM 561.09 Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1.Cl Homo sapiens CHEMBL656248 single protein format
CHEMBL9506 OBDepict O N H N H H N O N H 3 C Ki = 3.69 nM 408.46 CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL663085 tissue-based format
CHEMBL136608 OBDepict CH 3 N O H 3 C N O NH N N H O Cl IC50 = 3.8 nM 518.02 CCN(CC)C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2Cl)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL337055 OBDepict O N H N H N O N CH 3 F F F IC50 = 3.8 nM 452.44 CN1C(=O)C(NC(=O)Nc2cccc(C(F)(F)F)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL2111923 OBDepict Br HN N H O H N O N CH 3 IC50 = 3.8 nM 463.33 CN1C(=O)[C@H](NC(=O)Nc2cccc(Br)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL124611 OBDepict Cl HN NH O H O N H N H O CH 3 IC50 = 3.8 nM 559.11 CC1(NC(=O)CN2C(=O)[C@H](NC(=O)Nc3cccc(Cl)c3)C[C@H](c3ccccc3)c3ccccc32)CCCCC1 Homo sapiens CHEMBL653979 assay format
CHEMBL333541 OBDepict Cl H H N H N O N H O N H O H 3 C CH 3 H 3 C Cl IC50 = 4.0 nM 553.49 CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2cccc(Cl)c2)c2ccccc21 Homo sapiens CHEMBL653979 assay format
CHEMBL417521 OBDepict CH 3 O O N O NH N N H O F Cl IC50 = 4.1 nM 508.94 CCOC(=O)CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2F)c2ccccc21 Homo sapiens CHEMBL680912 tissue-based format
CHEMBL331315 OBDepict Cl N H N H O H O N H HN O CH 3 CH 3 H 3 C IC50 = 4.3 nM 519.05 CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccccc21 Homo sapiens CHEMBL653979 assay format
CHEMBL135371 OBDepict H 3 C O N H N H O N O N N O N CH 3 IC50 = 4.4 nM 540.62 COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1 Homo sapiens CHEMBL656248 single protein format
CHEMBL336765 OBDepict O N H HN N O N H 3 C O CH 3 IC50 = 4.8 nM 426.48 CC(=O)c1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL656248 single protein format
CHEMBL102633 OBDepict CH 3 N O N H N N N H O N CH 3 CH 3 IC50 = 4.9 nM 462.6 CCCN1C(=O)C(NC(=O)Nc2cccc(CC)c2)N=C(N2CCN(C)CC2)c2ccccc21 Homo sapiens CHEMBL662569 assay format
CHEMBL137567 OBDepict OH O N H N H O N O N H 3 C IC50 = 4.9 nM 442.48 CN1C(=O)C(NC(=O)Nc2cccc(CC(=O)O)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL134340 OBDepict Br N H N H O N O N H 3 C IC50 = 5.0 nM 463.33 CN1C(=O)C(NC(=O)Nc2cccc(Br)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL135218 OBDepict H 3 C N CH 3 O O N O HN N N H O H 3 C IC50 = 5.6 nM 541.65 CCN(CC)CC(=O)OCCN1C(=O)C(NC(=O)Nc2cccc(C)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL135538 OBDepict O N H N H N O N CH 3 F F F IC50 = 5.7 nM 452.44 CN1C(=O)C(NC(=O)Nc2ccc(C(F)(F)F)cc2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL169362 OBDepict H N N N N N H HN N H O H N O N CH 3 IC50 = 5.7 nM 467.49 CN1C(=O)[C@H](NC(=O)Nc2cccc(Nc3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL662572 cell membrane format
CHEMBL350853 OBDepict CH 3 N H N H O N O N N CH 3 IC50 = 5.7 nM 405.5 Cc1cccc(NC(=O)NC2N=C(N3CCCCC3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL657472 assay format
CHEMBL422102 OBDepict O N H N H N O N CH 3 HO H 3 C CH 3 IC50 = 5.9 nM 456.55 CN1C(=O)C(NC(=O)NCc2cccc(C(C)(C)O)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL273919 OBDepict CH 3 O O N O HN N N H O Cl IC50 = 5.9 nM 504.97 CCOC(=O)CCN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL343767 OBDepict H 3 C N H N H O N O N CH 3 IC50 = 6.0 nM 398.47 Cc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 Homo sapiens CHEMBL656248 single protein format
CHEMBL337286 OBDepict Cl HO H N O N H N NH O Cl IC50 = 6.0 nM 497.38 O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)CCl)C1=O Homo sapiens CHEMBL656248 single protein format
CHEMBL99939 OBDepict HO O N O N H H 3 C O O N H Cl H H H H Ki = 6.1 nM 592.14 CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)O Homo sapiens CHEMBL663091 assay format
CHEMBL33554 OBDepict CH 3 N H N H O H N O N H 3 C IC50 = 6.5 nM 398.47 Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 Homo sapiens CHEMBL656248 single protein format
CHEMBL2112932 OBDepict O N H N H H N O N CH 3 O OH IC50 = 6.69 nM 428.45 CN1C(=O)[C@H](NC(=O)Nc2ccc(C(=O)O)cc2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL657473 single protein format
CHEMBL333671 OBDepict O N H N CH 3 H 3 C CH 3 O H N H Cl H N H O Cl IC50 = 6.7 nM 553.49 CC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccc(Cl)cc21 Homo sapiens CHEMBL653979 assay format
CHEMBL30919 OBDepict H 3 C NH N H O H O N H N CH 3 IC50 = 6.9 nM 420.56 Cc1cccc(NC(=O)N[C@@H]2C[C@@H](N3CCCCCC3)c3ccccc3N(C)C2=O)c1 Homo sapiens CHEMBL656250 tissue-based format
CHEMBL515268 OBDepict I HN N H O H N O N CH 3 IC50 = 6.9 nM 510.34 CN1C(=O)[C@H](NC(=O)Nc2cccc(I)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL53907 OBDepict F N N H N N O N CH 3 N H IC50 = 7.0 nM 450.48 Cc1nnc2n1-c1ccccc1C(c1ccccc1F)=NC2NC(=O)c1cc2ccccc2[nH]1 Homo sapiens CHEMBL684568 tissue-based format
CHEMBL132875 OBDepict OH O O O N O N H N HN O CH 3 IC50 = 7.2 nM 528.57 Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)CCC(=O)O)C2=O)c1 Homo sapiens CHEMBL656248 single protein format
CHEMBL2111924 OBDepict Cl HN N H O H N O N CH 3 IC50 = 7.5 nM 418.88 CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL656248 single protein format
CHEMBL168903 OBDepict H N N N N N H N H N H O H N O N H 3 C IC50 = 7.5 nM 481.52 CN1C(=O)[C@H](NC(=O)Nc2cccc(CNc3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL662572 cell membrane format
CHEMBL123951 OBDepict CH 3 NH H 3 C H 3 C O N O H NH H N H O Cl IC50 = 7.6 nM 533.07 CCC(C)(C)NC(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(Cl)c2)C[C@H](c2ccccc2)c2ccccc21 Homo sapiens CHEMBL653979 assay format
CHEMBL318360 OBDepict H 3 C N O H NH N N N H O N H 3 C CH 3 IC50 = 7.6 nM 448.57 CCCN1C(=O)[C@H](NC(=O)Nc2cccc(C)c2)N=C(N2CCN(C)CC2)c2ccccc21 Homo sapiens CHEMBL663098 assay format