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P47871 | GLR_HUMAN | Glucagon receptor (GCGR)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_2 ]

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[ Domain: "Hormone receptor domain (HRM, Pfam 02793)" // HRM ]

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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
CHEMBL3898076 OBDepict CH 3 H S CH 3 O HN O N F F F O OH IC50 = 0.2 nM 594.66 CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(OC(F)(F)F)cc1)c1csc2c(C#N)cc(C)cc12 Homo sapiens CHEMBL3888573 assay format
CHEMBL3617565 OBDepict CH 3 H H N H Cl F O HN O F F F O OH IC50 = 0.24 nM 591.0 CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)[C@H](c1ccc(OC(F)(F)F)cc1)c1c[nH]c2c(F)cc(Cl)cc12 Homo sapiens CHEMBL3619084 cell-based format
CHEMBL3903921 OBDepict H 3 C H S Cl Cl HN O N O OH IC50 = 0.4 nM 579.55 CCCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(Cl)cc12 Homo sapiens CHEMBL3888573 assay format
CHEMBL3898694 OBDepict CH 3 H S Cl Cl Cl HN O N O OH IC50 = 0.7 nM 599.97 CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)c(Cl)c1)c1csc2c(C#N)cc(Cl)cc12 Homo sapiens CHEMBL3888573 assay format
CHEMBL499372 OBDepict O N H N N N H N N H N N H 3 C H H 3 C CH 3 H 3 C O IC50 = 1.0 nM 592.75 Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(OCc3ccccc3)ccc21 Homo sapiens CHEMBL945216 cell-based format
CHEMBL500315 OBDepict O N H N N N H N N H N N H 3 C H H 3 C H 3 C H 3 C O IC50 = 1.0 nM 570.74 Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(OC3CCCC3)ccc21 Homo sapiens CHEMBL945216 cell-based format
CHEMBL480113 OBDepict CH 3 O N N H 3 C N H H H 3 C H 3 C CH 3 N H O N N N H N IC50 = 1.0 nM 544.7 CCCOc1ccc2nc(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)n(C)c2c1 Homo sapiens CHEMBL945216 cell-based format
CHEMBL3974805 OBDepict N S Cl H CH 3 H 3 C Cl HN O O OH IC50 = 1.0 nM 579.55 CC(C)C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(Cl)cc12 Homo sapiens CHEMBL3888573 assay format
CHEMBL3939861 OBDepict H 3 C H S F Cl NH O N O OH IC50 = 1.1 nM 549.07 CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(F)cc12 Homo sapiens CHEMBL3888573 assay format
CHEMBL3926079 OBDepict H 3 C H S H 3 C Cl NH O N O OH IC50 = 1.3 nM 545.1 CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(C)cc12 Homo sapiens CHEMBL3888573 assay format
CHEMBL3963664 OBDepict CH 3 H S Cl HN O F F F N O OH IC50 = 1.7 nM 599.07 CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(C(F)(F)F)cc12 Homo sapiens CHEMBL3888573 assay format
CHEMBL3943204 OBDepict H 3 C H S H 3 C Cl NH O O OH IC50 = 1.8 nM 520.09 CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1sc2ccccc2c1C Homo sapiens CHEMBL3888573 assay format
CHEMBL232224 OBDepict HO O HN O N H O H H 3 C H 3 C CH 3 O F F F IC50 = 1.8 nM 588.67 CC(C)(C)[C@H]1CC[C@H](N(C(=O)Cc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 Homo sapiens CHEMBL890125 cell-based format
CHEMBL448921 OBDepict O N H N N N H N N H N N CH 3 H CH 3 H 3 C CH 3 O IC50 = 2.0 nM 584.77 Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(OCC3CCCC3)ccc21 Homo sapiens CHEMBL945216 cell-based format
CHEMBL458145 OBDepict OH N N H 3 C N H H H 3 C H 3 C H 3 C N H O N N N H N IC50 = 2.0 nM 502.62 Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(O)ccc21 Homo sapiens CHEMBL945216 cell-based format
CHEMBL480692 OBDepict CH 3 O N N CH 3 N H H CH 3 CH 3 CH 3 N H O N N N H N IC50 = 2.0 nM 544.7 CCCOc1ccc2c(c1)nc(N(Cc1ccc(C(=O)Nc3nnn[nH]3)cc1)[C@H]1CC[C@H](C(C)(C)C)CC1)n2C Homo sapiens CHEMBL945216 cell-based format
CHEMBL518939 OBDepict H 3 C O N N CH 3 N H H CH 3 CH 3 CH 3 N H O N N N H N IC50 = 2.0 nM 530.68 CCOc1ccc2c(c1)nc(N(Cc1ccc(C(=O)Nc3nnn[nH]3)cc1)[C@H]1CC[C@H](C(C)(C)C)CC1)n2C Homo sapiens CHEMBL945216 cell-based format
CHEMBL3892787 OBDepict CH 3 H H 3 C S Cl NH O O HO IC50 = 2.2 nM 520.09 CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1c(C)sc2ccccc12 Homo sapiens CHEMBL3888573 assay format
CHEMBL4110618 OBDepict H 3 C H S H 3 C Br Cl HN O N N N H N IC50 = 2.3 nM 594.97 CCC[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)C(c1ccc(Cl)cc1)c1csc2c(Br)cc(C)cc12 Homo sapiens CHEMBL3888573 assay format
CHEMBL152640 OBDepict N OH N H O N N H 3 C CH 3 H 3 C CH 3 IC50 = 2.3 nM 450.54 Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(C#N)c4)cccc32)c1C Homo sapiens CHEMBL684126 cell-based format
CHEMBL152477 OBDepict N OH N H O N N O O IC50 = 2.8 nM 522.61 N#Cc1cc(C(=O)N/N=C/c2ccc(N(C(=O)C3CCCC3)C(=O)C3CCCC3)c3ccccc23)ccc1O Homo sapiens CHEMBL684126 cell-based format
CHEMBL418135 OBDepict CH 3 O N H O NH O O O HO Ki = 3.0 nM 542.63 CCCCCCC(Oc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 Homo sapiens CHEMBL680804 single protein format
CHEMBL347663 OBDepict H 3 C CH 3 O N H N Cl IC50 = 3.0 nM 402.93 CC(C)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 Homo sapiens CHEMBL684119 cell-based format
CHEMBL1643951 OBDepict O N HN H H O H 3 C CH 3 H 3 C NH O F F F N N N N H IC50 = 3.2 nM 559.59 CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Homo sapiens CHEMBL1648234 cell-based format
CHEMBL156724 OBDepict O N O N N H O Cl OH IC50 = 3.4 nM 532.04 O=C(N/N=C/c1ccc(N(C(=O)C2CCCC2)C(=O)C2CCCC2)c2ccccc12)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL684126 cell-based format
CHEMBL398180 OBDepict HO O HN O N H N H O H H 3 C H 3 C CH 3 O F F F IC50 = 3.8 nM 589.66 CC(C)(C)[C@H]1CC[C@@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 Homo sapiens CHEMBL890125 cell-based format
CHEMBL487476 OBDepict OH O OH H N H O N N H O Cl Cl IC50 = 3.9 nM 582.48 O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 Homo sapiens CHEMBL977341 cell-based format
CHEMBL1933350 OBDepict CH 3 H H N H CH 3 F Cl HN O O OH Ki = 4.0 nM 521.03 CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)[C@H](c1ccc(Cl)cc1)c1c[nH]c2c(F)cc(C)cc12 Homo sapiens CHEMBL1937445 single protein format
CHEMBL513067 OBDepict CH 3 O N N CH 3 N H H CH 3 CH 3 CH 3 N H O N N N H N IC50 = 4.0 nM 516.65 COc1ccc2c(c1)nc(N(Cc1ccc(C(=O)Nc3nnn[nH]3)cc1)[C@H]1CC[C@H](C(C)(C)C)CC1)n2C Homo sapiens CHEMBL945216 cell-based format
CHEMBL160287 OBDepict H 3 C O Br N H N Cl IC50 = 4.0 nM 467.79 CCCOc1cc(Br)ccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 Homo sapiens CHEMBL684119 cell-based format
CHEMBL459457 OBDepict O N H N N N H N N H N N CH 3 H CH 3 CH 3 H 3 C IC50 = 4.0 nM 486.62 Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 Homo sapiens CHEMBL945216 cell-based format
CHEMBL487668 OBDepict H HO O HO NH O N N H O Cl Cl IC50 = 4.0 nM 584.5 O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3CCCCC3)cc2)cc1 Homo sapiens CHEMBL977341 cell-based format
CHEMBL305151 OBDepict OH O NH O N H O H 3 C H 3 C CH 3 O Ki = 4.0 nM 588.7 CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1 Homo sapiens CHEMBL680804 single protein format
CHEMBL471979 OBDepict CH 3 O N N H 3 C N H H H 3 C H 3 C CH 3 N H O N N N H N IC50 = 4.0 nM 516.65 COc1ccc2nc(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)n(C)c2c1 Homo sapiens CHEMBL945216 cell-based format
CHEMBL1922696 OBDepict Cl Cl N N CH 3 N O NH O F F F N N N H N IC50 = 4.0 nM 577.35 Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 Homo sapiens CHEMBL1924335 cell-based format
CHEMBL234087 OBDepict HO O HN O N H N H O H H 3 C H 3 C CH 3 O F F F IC50 = 4.1 nM 589.66 CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 Homo sapiens CHEMBL890125 cell-based format
CHEMBL1922710 OBDepict H 3 C N N CH 3 F F F N NH O H 3 C H 3 C CH 3 N N N H N IC50 = 4.4 nM 576.63 CCc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C(C)(C)C)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 Homo sapiens CHEMBL1924335 cell-based format
CHEMBL2159341 OBDepict HO O HN O N CH 3 H N Cl Cl CH 3 IC50 = 4.6 nM 572.49 Cc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 Homo sapiens CHEMBL2160605 cell-based format
CHEMBL154159 OBDepict Cl N N O N NH O Cl OH IC50 = 4.6 nM 575.5 O=C(N/N=C/c1ccc(CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL684126 cell-based format
CHEMBL232242 OBDepict O N H H O H 3 C H 3 C CH 3 N H O F F F N N N N H IC50 = 4.8 nM 584.64 CC(C)(C)[C@H]1CC[C@H](N(C(=O)Cc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 Homo sapiens CHEMBL890125 cell-based format
CHEMBL154149 OBDepict N OH N H O N N O N Cl IC50 = 4.9 nM 552.03 N#Cc1cc(C(=O)N/N=C/c2ccc(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)c3ccccc23)ccc1O Homo sapiens CHEMBL684126 cell-based format
CHEMBL232448 OBDepict Cl N H Cl N O H H CH 3 CH 3 H 3 C N H O N N N N H IC50 = 4.9 nM 570.53 CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(Cl)cc(Cl)c2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 Homo sapiens CHEMBL890125 cell-based format
CHEMBL2159348 OBDepict H 3 C O N N H 3 C H Cl Cl NH O O HO IC50 = 5.2 nM 588.49 COc1ccc2cc(-c3cc(-c4ccc(Cl)c(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 Homo sapiens CHEMBL2160605 cell-based format
CHEMBL153157 OBDepict O HN N Cl HO N H 3 C CH 3 H 3 C CH 3 IC50 = 5.3 nM 459.98 Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)c1C Homo sapiens CHEMBL684126 cell-based format
CHEMBL3617567 OBDepict HO O HN O N H CH 3 CH 3 N N N N F F F Ki = 5.6 nM 516.52 CC1(C)CC(C(Nc2cnc(-n3cc(C(F)(F)F)cn3)nc2)c2ccc(C(=O)NCCC(=O)O)cc2)C1 Homo sapiens CHEMBL3619086 cell-based format
CHEMBL152293 OBDepict CH 3 CH 3 H 3 C N N HN O Cl HO IC50 = 5.8 nM 445.95 Cc1cc(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)c(C)c1 Homo sapiens CHEMBL684126 cell-based format
CHEMBL152464 OBDepict Cl HN O N HN O Cl OH IC50 = 5.9 nM 506.39 O=C(N/N=C/c1ccc(C(=O)NCCc2ccc(Cl)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL684126 cell-based format
CHEMBL155686 OBDepict CH 3 O Cl N H N Cl IC50 = 6.0 nM 423.34 CCCOc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 Homo sapiens CHEMBL684119 cell-based format
CHEMBL3237900 OBDepict HO O HN O N CH 3 H O N H F Cl H 3 C H 3 C CH 3 IC50 = 6.0 nM 556.08 C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 Homo sapiens CHEMBL3242199 cell-based format
CHEMBL472154 OBDepict F N N H 3 C N H H H 3 C H 3 C H 3 C N H O N N N H N IC50 = 6.0 nM 504.61 Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(F)ccc21 Homo sapiens CHEMBL945216 cell-based format
CHEMBL470955 OBDepict O N H N N N H N N H N N H 3 C H H 3 C H 3 C H 3 C CH 3 CH 3 IC50 = 6.0 nM 514.68 Cc1cc2nc(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)n(C)c2cc1C Homo sapiens CHEMBL945216 cell-based format
CHEMBL66087 OBDepict CH 3 O N H O HN O Cl Cl O OH Ki = 6.0 nM 571.5 CCCCCCC(Oc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)cc1 Homo sapiens CHEMBL680804 single protein format
CHEMBL293907 OBDepict CH 3 N H O NH O O O HO Ki = 6.0 nM 540.66 CCCCCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 Homo sapiens CHEMBL680804 single protein format
CHEMBL4114081 OBDepict H 3 C H S Cl Cl NH O N O OH IC50 = 6.2 nM 565.52 CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(Cl)cc12 Homo sapiens CHEMBL3888573 assay format
CHEMBL421809 OBDepict CH 3 N CH 3 N O N NH O Cl OH IC50 = 6.2 nM 543.07 CN(C)CCN(Cc1ccccc1)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 Homo sapiens CHEMBL684126 cell-based format
CHEMBL2112908 OBDepict N OH N H O N N O IC50 = 6.4 nM 414.47 N#Cc1cc(C(=O)N/N=C/c2cn(C(=O)CC3CCCC3)c3ccccc23)ccc1O Homo sapiens CHEMBL684126 cell-based format
CHEMBL86086 OBDepict CH 3 O O N N H H 3 C N Cl IC50 = 6.5 nM 476.02 CCCCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OCCCC)c1 Homo sapiens CHEMBL684123 single protein format
CHEMBL314701 OBDepict Cl N N H O N IC50 = 6.5 nM 423.9 Clc1ccc(-c2nc(-c3ccccc3Oc3ccccc3)c(-c3ccncc3)[nH]2)cc1 Homo sapiens CHEMBL684123 single protein format
CHEMBL1933349 OBDepict CH 3 O N N CH 3 H Cl Cl HN O O OH IC50 = 6.6 nM 588.49 COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 Homo sapiens CHEMBL2160605 cell-based format
CHEMBL2112906 OBDepict O N H N Cl HO S O O O F F F IC50 = 6.9 nM 576.98 O=C(N/N=C/c1ccc(CS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL684126 cell-based format
CHEMBL351772 OBDepict CH 3 O Br N H N Cl IC50 = 7.0 nM 467.79 CCCOc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 Homo sapiens CHEMBL684119 cell-based format
CHEMBL472325 OBDepict Br N N H 3 C N H H H 3 C H 3 C H 3 C N H O N N N H N IC50 = 7.0 nM 565.52 Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(Br)ccc21 Homo sapiens CHEMBL945216 cell-based format
CHEMBL1922715 OBDepict H 3 C O N Cl N CH 3 N O NH O F F F N N N H N IC50 = 7.0 nM 586.96 CCOc1cc(Cl)cc2c1n(C)/c(=N/c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 Homo sapiens CHEMBL1924335 cell-based format
CHEMBL2111262 OBDepict H 2 N O N H H N N H O Cl OH IC50 = 7.4 nM 486.96 NC(=O)[C@@H](Cc1ccccc1)Nc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 Homo sapiens CHEMBL684126 cell-based format
CHEMBL154400 OBDepict H 3 C N O N NH O Cl OH IC50 = 7.4 nM 477.99 CCC1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 Homo sapiens CHEMBL684126 cell-based format
CHEMBL2159340 OBDepict HO O N H O N H 3 C H N Cl Cl Cl IC50 = 7.5 nM 592.91 C[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(Cl)ccc2c1 Homo sapiens CHEMBL2160605 cell-based format
CHEMBL2159347 OBDepict H 3 C O N N H 3 C H Cl Cl NH O O HO IC50 = 7.5 nM 588.49 COc1ccc2cc(-c3cc(-c4cc(Cl)ccc4Cl)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 Homo sapiens CHEMBL2160605 cell-based format
CHEMBL3917291 OBDepict H 3 C H CH 3 S Cl Cl HN O N O OH IC50 = 7.8 nM 579.55 CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1c(C)sc2c(C#N)cc(Cl)cc12 Homo sapiens CHEMBL3888573 assay format
CHEMBL153641 OBDepict O N N F N N H O Cl OH IC50 = 7.9 nM 545.01 O=C(N/N=C/c1ccc(CC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL684126 cell-based format
CHEMBL452311 OBDepict OH O HO H N H O N N H O Br IC50 = 8.0 nM 594.51 O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cccc(Br)c2)c2ccc(C3CCCCC3)cc2)cc1 Homo sapiens CHEMBL977341 cell-based format
CHEMBL156458 OBDepict CH 3 O N H N Cl IC50 = 8.0 nM 388.9 CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 Homo sapiens CHEMBL684119 cell-based format
CHEMBL155065 OBDepict CH 3 N O N N H O Cl OH IC50 = 8.3 nM 463.97 CC1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 Homo sapiens CHEMBL684126 cell-based format
CHEMBL157380 OBDepict Cl N H N N H O Cl OH IC50 = 8.3 nM 464.35 O=C(N/N=C/c1ccc(NCc2ccc(Cl)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL684126 cell-based format
CHEMBL315828 OBDepict CH 3 O N H N N Cl IC50 = 8.5 nM 403.91 CCCCOc1ccccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccncc1 Homo sapiens CHEMBL684123 single protein format
CHEMBL459208 OBDepict O N H N N N H N N N N CH 3 IC50 = 9.0 nM 506.61 Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(C3CCCCC3)cc2)nc2ccccc21 Homo sapiens CHEMBL945216 cell-based format
CHEMBL528775 OBDepict CH 3 S HN N O N H O OH H O OH IC50 = 9.0 nM 561.7 CSc1cccc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3CCCCC3)cc2)c1 Homo sapiens CHEMBL977341 cell-based format
CHEMBL1933365 OBDepict HO O N H O N H N N F F F Ki = 9.0 nM 500.52 O=C(O)CCNC(=O)c1ccc(C(Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C2CCCC2)cc1 Homo sapiens CHEMBL1937445 single protein format
CHEMBL511964 OBDepict O N H N N N H N N H N N H 3 C H H 3 C H 3 C H 3 C Cl Cl IC50 = 9.0 nM 555.51 Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(Cl)c(Cl)cc21 Homo sapiens CHEMBL945216 cell-based format
CHEMBL64475 OBDepict OH O N H O O N H O H 3 C CH 3 H 3 C Ki = 9.0 nM 550.66 CC(C)(C)c1ccc(C(Oc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 Homo sapiens CHEMBL680804 single protein format
CHEMBL1922930 OBDepict CH 3 H O N N Cl NH O F F F O HO IC50 = 9.2 nM 586.01 CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)n1 Homo sapiens CHEMBL1925536 cell-based format
CHEMBL156904 OBDepict O N N N N H O Cl OH IC50 = 9.2 nM 541.05 O=C(N/N=C/c1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL684126 cell-based format
CHEMBL158676 OBDepict H 3 C O N H N Cl IC50 = 10.0 nM 402.93 CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 Homo sapiens CHEMBL684119 cell-based format
CHEMBL1922936 OBDepict H 3 C H O N F HN O F F F O OH IC50 = 10.0 nM 596.62 CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(F)ccc2n1-c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL1925536 cell-based format
CHEMBL486651 OBDepict CH 3 N H F F F N O H H H 3 C H 3 C CH 3 NH O OH H O HO IC50 = 10.0 nM 577.64 Cc1cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL977341 cell-based format
CHEMBL430163 OBDepict HO O N H O N H N H O H H 3 C H 3 C CH 3 Cl Cl IC50 = 10.0 nM 574.55 CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(Cl)cc(Cl)c2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 Homo sapiens CHEMBL890125 cell-based format
CHEMBL509900 OBDepict CH 3 N N H N H H H 3 C H 3 C CH 3 N H O N N N H N IC50 = 10.0 nM 486.62 Cc1ccc2[nH]c(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)nc2c1 Homo sapiens CHEMBL945216 cell-based format
CHEMBL153879 OBDepict N HO HN O N N O N CH 3 CH 3 IC50 = 10.4 nM 533.63 CN(C)CCN(Cc1ccccc1)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)c2ccccc12 Homo sapiens CHEMBL684126 cell-based format
CHEMBL480501 OBDepict O N H N N N H N N H N N H 3 C H H 3 C H 3 C H 3 C F F F IC50 = 11.0 nM 554.62 Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(C(F)(F)F)ccc21 Homo sapiens CHEMBL945216 cell-based format
CHEMBL418468 OBDepict OH O N H O N H O N CH 3 H 3 C CH 3 Ki = 11.0 nM 523.63 CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2cnc3ccccc3c2)cc1 Homo sapiens CHEMBL680804 single protein format
CHEMBL62892 OBDepict OH O N H O N H O H 3 C CH 3 H 3 C Ki = 11.0 nM 548.68 CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 Homo sapiens CHEMBL680804 single protein format
CHEMBL152184 OBDepict Cl N N O N HN O Cl OH IC50 = 11.3 nM 561.47 O=C(N/N=C/c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL684126 cell-based format
CHEMBL158295 OBDepict N HO HN O N N O CH 3 IC50 = 11.6 nM 454.53 CC1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)c2ccccc12 Homo sapiens CHEMBL684126 cell-based format
CHEMBL1933364 OBDepict HO O N H O N H N N F F F F F F Ki = 12.0 nM 528.45 O=C(O)CCNC(=O)c1ccc(C(CCC(F)(F)F)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 Homo sapiens CHEMBL1937445 single protein format
CHEMBL2381827 OBDepict CH 3 N H CH 3 H 3 C N H O N N O OH F F F Ki = 12.0 nM 502.54 CCCC(Nc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 Homo sapiens CHEMBL2382751 cell-based format
CHEMBL1922713 OBDepict H 3 C O N Cl N CH 3 N O NH O F F F N N N H N IC50 = 12.0 nM 572.94 COc1cc(Cl)cc2c1n(C)/c(=N/c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 Homo sapiens CHEMBL1924335 cell-based format
CHEMBL1922940 OBDepict H 3 C H O N H 3 C HN O F F F O OH IC50 = 12.0 nM 592.66 CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(C)ccc2n1-c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL1925536 cell-based format
CHEMBL346464 OBDepict F N N O N NH O Cl OH IC50 = 12.3 nM 545.01 O=C(N/N=C/c1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL684126 cell-based format
CHEMBL2111565 OBDepict O N H N Cl HO O O F F F IC50 = 12.9 nM 514.89 O=C(N/N=C/c1cccc2c(OCc3ccc(OC(F)(F)F)cc3)cccc12)c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL684126 cell-based format
CHEMBL316361 OBDepict CH 3 O O N N H H 3 C N Cl IC50 = 13.0 nM 447.97 CCCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OCCC)c1 Homo sapiens CHEMBL684123 single protein format
CHEMBL85807 OBDepict Cl N N H O N IC50 = 13.0 nM 423.9 Clc1ccc(-c2nc(-c3cccc(Oc4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1 Homo sapiens CHEMBL684123 single protein format