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P32238 | CCKAR_HUMAN | Cholecystokinin receptor type A (CCKAR)

3D structures mapped by conservation among orthologs

[ Domain: "Cholecystokinin A receptor, N-domain" // CholecysA-Rec_N ]

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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
CHEMBL509519 OBDepict H 3 C F N N N O O O N O OH IC50 = 0.03 nM 592.63 Cc1ccc(-c2nc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)cn2-c2ccc3c(c2)OCCO3)c(F)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL505225 OBDepict F N N N O O O N O OH IC50 = 0.03 nM 578.6 O=C(O)c1cc(N2CCN(C(=O)c3cn(-c4ccc5c(c4)OCCO5)c(-c4ccc(F)cc4)n3)CC2)cc2ccccc12 Homo sapiens CHEMBL994440 single protein format
CHEMBL504861 OBDepict CH 3 O N N N O F CH 3 N O OH IC50 = 0.04 nM 578.64 CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1 Homo sapiens CHEMBL976507 single protein format
CHEMBL510690 OBDepict CH 3 O N N N O F F N O OH IC50 = 0.07 nM 582.61 CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(F)cc2F)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL9506 OBDepict O N H N H H N O N H 3 C IC50 = 0.08 nM 408.46 CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL1004238 single protein format
CHEMBL498942 OBDepict CH 3 O N N N O F N O OH IC50 = 0.08 nM 564.62 CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(F)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 0.12 nM 583.78 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 Homo sapiens CHEMBL4121474 single protein format
CHEMBL475679 OBDepict F N N N O O O N N IC50 = 0.12 nM 535.58 O=C(c1cn(-c2ccc3c(c2)OCCO3)c(-c2ccc(F)cc2)n1)N1CCN(c2cnc3ccccc3c2)CC1 Homo sapiens CHEMBL994440 single protein format
CHEMBL505727 OBDepict CH 3 O N N N O CH 3 N O OH IC50 = 0.12 nM 560.65 CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL976507 single protein format
CHEMBL451644 OBDepict CH 3 N N N O O O N O OH IC50 = 0.14 nM 574.64 Cc1ccc(-c2nc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)cn2-c2ccc3c(c2)OCCO3)cc1 Homo sapiens CHEMBL994440 single protein format
CHEMBL448221 OBDepict CH 3 O N N N O CH 3 N O OH IC50 = 0.14 nM 546.63 COc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1773891 OBDepict CH 3 N N N O O O N N IC50 = 0.18 nM 543.63 Cc1ccc(-c2nc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)ncc2-c2ccc3c(c2)OCCO3)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL514953 OBDepict CH 3 N N N O O O N N IC50 = 0.2 nM 531.62 Cc1ccc(-c2nc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)cn2-c2ccc3c(c2)OCCO3)cc1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1774043 OBDepict CH 3 O N N F N O CH 3 N O OH IC50 = 0.22 nM 576.63 COc1ccc(-c2cnc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL502924 OBDepict CH 3 O N N N O H CH 3 N O O H 3 C N IC50 = 0.24 nM 589.7 CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3COC(C)=O)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL976507 single protein format
CHEMBL474067 OBDepict CH 3 O N N N O F CH 3 N N IC50 = 0.24 nM 535.62 CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL450443 OBDepict CH 3 O N N N O H CH 3 N N H O H 3 C N IC50 = 0.25 nM 588.71 CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3CNC(C)=O)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL976507 single protein format
CHEMBL1774033 OBDepict CH 3 O N N F N O CH 3 N N IC50 = 0.26 nM 533.61 COc1ccc(-c2cnc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL503331 OBDepict CH 3 O N N N O H CH 3 N N H O H 3 C N IC50 = 0.39 nM 588.71 CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@H]3CNC(C)=O)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL976507 single protein format
CHEMBL478398 OBDepict CH 3 N N N O O O N IC50 = 0.42 nM 530.63 Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cn2-c2ccc3c(c2)OCCO3)cc1 Homo sapiens CHEMBL994440 single protein format
CHEMBL453083 OBDepict CH 3 O N N N O CH 3 N N IC50 = 0.45 nM 517.63 CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL976507 single protein format
CHEMBL504707 OBDepict CH 3 O N N N O H CH 3 N O O H 3 C N IC50 = 0.47 nM 589.7 CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@H]3COC(C)=O)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL976507 single protein format
CHEMBL473664 OBDepict CH 3 O N N N O F CH 3 N IC50 = 0.56 nM 534.64 CCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL515887 OBDepict CH 3 O N N N O F N N IC50 = 0.57 nM 521.6 CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccccc2F)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL473865 OBDepict CH 3 O N N N O F N N IC50 = 0.6 nM 521.6 CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(F)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1210154 OBDepict O N H O N CH 3 S IC50 = 1.0 nM 336.42 C/C(=NOC(=O)Nc1ccccc1)c1cccc(-c2cccs2)c1 Homo sapiens CHEMBL1212471 cell-based format
CHEMBL473663 OBDepict CH 3 O N N N O F F N IC50 = 1.0 nM 538.6 CCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(F)cc2F)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL455742 OBDepict CH 3 O N N N O CH 3 N O OH IC50 = 1.3 nM 546.63 COc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5cc4C(=O)O)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL479256 OBDepict CH 3 O N N N O CH 3 N N IC50 = 1.3 nM 503.61 COc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1774032 OBDepict CH 3 O N N F N O N N IC50 = 1.4 nM 519.58 COc1ccc(-c2cnc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccccc2F)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL473457 OBDepict CH 3 O N N N O F F N IC50 = 1.9 nM 538.6 CCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2c(F)cccc2F)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL516355 OBDepict CH 3 O N N N O F N IC50 = 1.9 nM 520.61 CCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccccc2F)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL476530 OBDepict CH 3 O N N N O F N IC50 = 1.9 nM 520.61 CCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(F)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL515161 OBDepict CH 3 O N N N O CH 3 N N IC50 = 1.9 nM 503.61 COc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5cn4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1774042 OBDepict CH 3 O N N N O CH 3 N O OH IC50 = 2.0 nM 558.64 COc1ccc(-c2cnc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL366344 OBDepict O NH O H CH 3 CH 3 H 3 C N H O H N H N H O N O IC50 = 2.1 nM 595.7 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(c3cccc4ccccc34)C(=O)C[C@@H]12 Homo sapiens CHEMBL832343 cell-based format
CHEMBL1933104 OBDepict O N H N H H O HO O N H Ki = 2.3 nM 441.49 O=C(Nc1ccccc1C(=O)N[C@H](CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1 Homo sapiens CHEMBL1937730 cell-based format
CHEMBL515616 OBDepict CH 3 O N N N O CH 3 N IC50 = 2.3 nM 516.65 CCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1773887 OBDepict CH 3 O N N N O CH 3 N N IC50 = 2.4 nM 515.62 COc1ccc(-c2cnc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL1773888 OBDepict CH 3 O N N N O CH 3 N N IC50 = 2.4 nM 529.64 CCOc1ccc(-c2cnc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL479046 OBDepict CH 3 O N N N O CH 3 N IC50 = 2.5 nM 502.62 COc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL168182 OBDepict HO O N H H O H 2 N H 3 C N O O Ki = 3.0 nM 557.69 C[C@@](N)(Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(=O)N[C@H](CC(=O)O)Cc1ccccc1 Homo sapiens CHEMBL655142 single protein format
CHEMBL476520 OBDepict CH 3 O N N N O N IC50 = 3.4 nM 502.62 CCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccccc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL363916 OBDepict O HN O H H 3 C H 3 C CH 3 N H O H N H N H O N HS IC50 = 3.8 nM 577.75 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12 Homo sapiens CHEMBL832343 cell-based format
CHEMBL1933100 OBDepict HO O HN O N H O N H Ki = 3.9 nM 441.49 O=C(Nc1ccccc1C(=O)NC(CCc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1 Homo sapiens CHEMBL1937730 cell-based format
CHEMBL1774041 OBDepict H 3 C O N N N O CH 3 N O O CH 3 IC50 = 4.7 nM 572.67 COC(=O)c1cc(N2CCN(C(=O)c3ncc(-c4ccc(OC)cc4)c(-c4ccc(C)cc4)n3)CC2)cc2ccccc12 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL189634 OBDepict O HN O H H 3 C H 3 C CH 3 N H O H N H N H O N O IC50 = 5.2 nM 545.64 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(c3ccccc3)C(=O)C[C@@H]12 Homo sapiens CHEMBL832343 cell-based format
CHEMBL476531 OBDepict CH 3 O N N N O Cl N IC50 = 5.6 nM 537.06 CCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(Cl)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1773896 OBDepict CH 3 O N N N O F N N IC50 = 6.7 nM 519.58 COc1ccc(-c2cnc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(F)cc2)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL516113 OBDepict H 3 C O N N N O H 3 C N IC50 = 6.9 nM 502.62 COc1ccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)cc1 Homo sapiens CHEMBL994440 single protein format
CHEMBL476095 OBDepict H 3 C O N N N O H 3 C N Cl Cl IC50 = 8.0 nM 521.45 COc1cccc(-n2cc(C(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL478630 OBDepict CH 3 O N N N O CH 3 N N IC50 = 8.6 nM 503.61 COc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ncccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1774037 OBDepict H 3 C O N N N O H 3 C N O IC50 = 9.9 nM 504.59 COc1ccc(-c2cnc(C(=O)N3CCN(c4ccc5ccoc5c4)CC3)nc2-c2ccc(C)cc2)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL2017832 OBDepict CH 3 O N O N O N H N N N N H IC50 = 9.9 nM 589.7 COCCC1CCCCN1C(=O)CN1C(=O)[C@@H](Cc2n[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21 Homo sapiens CHEMBL2019603 cell-based format
CHEMBL39263 OBDepict O N N N H CH 3 O N H Ki = 10.4 nM 408.46 CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21 Homo sapiens CHEMBL1937730 cell-based format
CHEMBL1774035 OBDepict CH 3 O N N N O CH 3 N N IC50 = 13.0 nM 515.62 COc1ccc(-c2cnc(C(=O)N3CCN(c4cc5ccccc5cn4)CC3)nc2-c2ccc(C)cc2)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL478604 OBDepict CH 3 O N N N O CH 3 N Cl IC50 = 14.0 nM 487.0 COc1cccc(-n2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1269262 OBDepict CH 3 N H 3 C O N O N O N N IC50 = 15.0 nM 557.65 CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)C(Oc2ccccc2)c2nnc(-c3ccccc3)n2-c2ccccc21 Homo sapiens CHEMBL1273767 cell-based format
CHEMBL476739 OBDepict CH 3 O N N N O CH 3 N N IC50 = 16.0 nM 503.61 COc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5n4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1774034 OBDepict CH 3 O N N N O CH 3 N IC50 = 16.9 nM 514.63 COc1ccc(-c2cnc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL477996 OBDepict CH 3 O N N N O CH 3 N N N H IC50 = 17.0 nM 492.58 COc1cccc(-n2cc(C(=O)N3CCN(c4nc5ccccc5[nH]4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1773892 OBDepict CH 3 O N N N O N N IC50 = 17.9 nM 501.59 COc1ccc(-c2cnc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccccc2)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL1774036 OBDepict CH 3 O N N N O CH 3 N N IC50 = 19.0 nM 515.62 COc1ccc(-c2cnc(C(=O)N3CCN(c4ccc5ncccc5c4)CC3)nc2-c2ccc(C)cc2)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL1269259 OBDepict OH O HN O N N N N N O H 3 C CH 3 IC50 = 19.7 nM 586.65 CC(C)N(C(=O)CN1C(=O)C(Nc2cccc(C(=O)O)c2)c2nnc(-c3ccccc3)n2-c2ccccc21)c1ccccc1 Homo sapiens CHEMBL1273767 cell-based format
CHEMBL476297 OBDepict HO N N N O H 3 C N IC50 = 22.0 nM 488.59 Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cn2-c2cccc(O)c2)cc1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1269261 OBDepict CH 3 N H 3 C O N O N HN N N IC50 = 24.3 nM 556.67 CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)C(Nc2ccccc2)c2nnc(-c3ccccc3)n2-c2ccccc21 Homo sapiens CHEMBL1273767 cell-based format
CHEMBL1773886 OBDepict CH 3 O N N N O CH 3 N N IC50 = 25.0 nM 529.64 CCOc1cccc(-c2cnc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL478397 OBDepict CH 3 O H 3 C N N N O CH 3 N IC50 = 30.0 nM 530.67 Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cn2-c2cccc(OC(C)C)c2)cc1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1269258 OBDepict CH 3 N H 3 C O N O N H N N N H IC50 = 31.7 nM 594.72 CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21 Homo sapiens CHEMBL1273767 cell-based format
CHEMBL1773883 OBDepict H 3 C O N N N O CH 3 N IC50 = 33.0 nM 514.63 COc1cccc(-c2cnc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL515160 OBDepict CH 3 O N N N O F N IC50 = 35.0 nM 520.61 CCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2cccc(F)c2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1773885 OBDepict H 3 C O N N N O CH 3 N N IC50 = 35.0 nM 515.62 COc1cccc(-c2cnc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL1773882 OBDepict H 3 C O N N O CH 3 N IC50 = 35.0 nM 513.64 COc1cccc(-c2ccc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL1773895 OBDepict CH 3 O N N Cl N O N N IC50 = 35.0 nM 536.04 COc1ccc(-c2cnc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccccc2Cl)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL2017691 OBDepict H 3 C N O N O N N N N H IC50 = 36.9 nM 558.69 CCC1CCCCN1C(=O)CN1C(=O)C(Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21 Homo sapiens CHEMBL2019603 cell-based format
CHEMBL2017831 OBDepict CH 3 N H 3 C O N O N H N N N N H IC50 = 38.1 nM 595.71 CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)[C@@H](Cc2n[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21 Homo sapiens CHEMBL2019603 cell-based format
CHEMBL479063 OBDepict CH 3 O N N N O CH 3 N Cl IC50 = 41.0 nM 487.0 COc1cccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nn2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL476747 OBDepict CH 3 N N N O CH 3 N IC50 = 43.0 nM 500.65 CCc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL476725 OBDepict CH 3 O N N N O N CH 3 IC50 = 43.0 nM 530.67 CCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(CC)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL105775 OBDepict CH 3 O N CH 3 O N O N H N O N H O IC50 = 46.3 nM 563.61 COc1ccc(N(C)C(=O)CN2C(=O)C(NC(=O)Nc3ccccc3)C(=O)N(c3ccccc3)c3ccccc32)cc1 Homo sapiens CHEMBL3412065 cell-based format
CHEMBL1269263 OBDepict H 3 C N CH 3 O N O N N N N N H IC50 = 48.5 nM 581.68 CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)C(c2n[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21 Homo sapiens CHEMBL1273767 cell-based format
CHEMBL2017690 OBDepict H 3 C O N O N O N N N N H IC50 = 49.3 nM 588.71 COCCC1CCCCN1C(=O)CN1C(=O)C(Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21 Homo sapiens CHEMBL2019603 cell-based format
CHEMBL4540275 OBDepict H 3 C O O H 3 C N N N H O N O OH IC50 < 50.0 nM 528.61 COc1ccc(-c2nc(NC(=O)c3cc4ccccc4n3CC(=O)O)ncc2CC2CCCCC2)c(OC)c1 Homo sapiens CHEMBL4394889 cell-based format
CHEMBL1773878 OBDepict CH 3 O N N N O F N N IC50 = 51.0 nM 519.58 COc1ccc(-c2cnc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2cccc(F)c2)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL1773893 OBDepict CH 3 O N N H 3 C N O N N IC50 = 55.0 nM 515.62 COc1ccc(-c2cnc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccccc2C)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL202861 OBDepict HO O HN O NH O N H Ki = 59.8 nM 427.46 O=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1 Homo sapiens CHEMBL1937730 cell-based format
CHEMBL1774038 OBDepict CH 3 O N N N O CH 3 N N H IC50 = 66.0 nM 503.61 COc1ccc(-c2cnc(C(=O)N3CCN(c4ccc5cc[nH]c5c4)CC3)nc2-c2ccc(C)cc2)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL2017826 OBDepict O N N CH 3 H 3 C O N N N N H IC50 = 80.1 nM 572.71 CC(C)C1CCCCN1C(=O)CN1C(=O)C(Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21 Homo sapiens CHEMBL2019603 cell-based format
CHEMBL1774040 OBDepict CH 3 O N N N O CH 3 N O OH IC50 = 95.0 nM 558.64 COc1ccc(-c2cnc(C(=O)N3CCN(c4cc5ccccc5cc4C(=O)O)CC3)nc2-c2ccc(C)cc2)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL358646 OBDepict CH 3 N H N H O N O N O CH 3 H 3 C CH 3 IC50 = 111.0 nM 482.58 Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 Homo sapiens CHEMBL657377 single protein format
CHEMBL504024 OBDepict CH 3 N N N O O N F F F IC50 = 130.0 nM 556.59 Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cn2-c2cccc(OC(F)(F)F)c2)cc1 Homo sapiens CHEMBL994440 single protein format
CHEMBL476519 OBDepict H 3 C N N N O O O N IC50 = 140.0 nM 530.63 Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cn2-c2cccc3c2OCCO3)cc1 Homo sapiens CHEMBL994440 single protein format
CHEMBL479030 OBDepict CH 3 O N N N O CH 3 N IC50 = 160.0 nM 530.67 CCCOc1cccc(-n2cc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL1773884 OBDepict CH 3 O N N N O CH 3 N N IC50 = 165.0 nM 515.62 COc1ccccc1-c1cnc(C(=O)N2CCN(c3cnc4ccccc4c3)CC2)nc1-c1ccc(C)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL2017825 OBDepict O N N O N N N N H IC50 = 168.0 nM 592.7 O=C1C(Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc2N1CC(=O)N1CCCC1c1ccccc1 Homo sapiens CHEMBL2019603 cell-based format
CHEMBL1773894 OBDepict CH 3 O N N N O CH 3 N N IC50 = 174.0 nM 515.62 COc1ccc(-c2cnc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2cccc(C)c2)cc1 Homo sapiens CHEMBL1775460 cell-based format
CHEMBL514716 OBDepict CH 3 O N N N O CH 3 N N IC50 = 190.0 nM 503.61 COc1cccc(-n2cc(C(=O)N3CCN(c4ccc5cnccc5c4)CC3)nc2-c2ccc(C)cc2)c1 Homo sapiens CHEMBL994440 single protein format
CHEMBL59993 OBDepict H 3 C N O N H O H 3 C N H Cl Cl IC50 = 190.0 nM 516.51 CCCCCN(CCCCC)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL658764 single protein format
CHEMBL206025 OBDepict CH 3 N O NH O O H 3 C O OH Cl Cl IC50 = 195.0 nM 461.39 CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL860998 cell-based format
CHEMBL202861 OBDepict HO O HN O NH O N H IC50 = 197.0 nM 427.46 O=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O)c1cc2ccccc2[nH]1 Homo sapiens CHEMBL860998 cell-based format