HOME LIGAND hPROTEOME OTHERS DOCUMENT

P25929 | NPY1R_HUMAN | Neuropeptide Y receptor type 1 (NPY1R)

3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1 ]

download pymol session



[ 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
CHEMBL511460 OBDepict H 3 C NH N O NH H 2 N NH H N H O O OH Ki = 0.1 nM 544.66 CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 Homo sapiens CHEMBL1011807 cell-based format
CHEMBL4128926 OBDepict OH O H H N H O N S S HN O O CH 3 CH 3 CH 3 IC50 = 0.13 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 CHEMBL4121491 single protein format
CHEMBL567112 OBDepict CH 3 S N S F N N N H O N CH 3 IC50 = 0.13 nM 473.64 CCc1sc(SCc2cc(N3CCOCC3)cc(NCc3cccc(C)n3)n2)nc1CF Homo sapiens CHEMBL1042012 cell-based format
CHEMBL585669 OBDepict H 3 C N N H N N S O N S CH 3 H 3 C IC50 = 0.16 nM 441.63 Cc1cccc(CNc2cc(N3CCSCC3)cc(CSc3nc(C)c(C)o3)n2)n1 Homo sapiens CHEMBL1042012 cell-based format
CHEMBL345581 OBDepict N O N N O N Ki = 0.191 nM 594.84 c1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc43)CC2)cc1 Homo sapiens CHEMBL748548 cell-based format
CHEMBL585711 OBDepict F N H 3 C S S N N HN O N CH 3 IC50 = 0.2 nM 459.62 Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(CF)c(C)s3)n2)n1 Homo sapiens CHEMBL1042012 cell-based format
CHEMBL1774204 OBDepict H HN N H O O N H NH NH 2 NH O H 2 N Ki = 0.25 nM 529.65 N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 Homo sapiens CHEMBL1777096 cell-based format
CHEMBL566020 OBDepict F N N H N N S O N S H 3 C H 3 C IC50 = 0.27 nM 445.59 Cc1nc(SCc2cc(N3CCSCC3)cc(NCc3cccc(F)n3)n2)oc1C Homo sapiens CHEMBL1042012 cell-based format
CHEMBL566041 OBDepict H 3 C N N H N N S S N O CH 3 H 3 C IC50 = 0.27 nM 441.63 Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(C)s3)n2)n1 Homo sapiens CHEMBL1042012 cell-based format
CHEMBL348123 OBDepict H 3 C H 3 C N N N O O N Ki = 0.29 nM 560.83 CC(C)CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 Homo sapiens CHEMBL748548 cell-based format
CHEMBL567101 OBDepict CH 3 O CH 3 N S N N N H O N CH 3 IC50 = 0.39 nM 439.59 CCc1oc(SCc2cc(N3CCOCC3)cc(NCc3cccc(C)n3)n2)nc1C Homo sapiens CHEMBL1042012 cell-based format
CHEMBL348119 OBDepict N N N O O N Ki = 0.393 nM 586.87 c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCN(CC3CCCCC3)CC2)cc1 Homo sapiens CHEMBL748548 cell-based format
CHEMBL566040 OBDepict CH 3 N N H N N S N O O IC50 = 0.46 nM 451.6 Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc4c(o3)CCCC4)n2)n1 Homo sapiens CHEMBL1042012 cell-based format
CHEMBL566255 OBDepict F S CH 3 N S N N N H O N CH 3 IC50 = 0.56 nM 459.62 Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(CF)s3)n2)n1 Homo sapiens CHEMBL1042012 cell-based format
CHEMBL567719 OBDepict H 3 C N N H N N S O N O CH 3 H 3 C IC50 = 0.69 nM 425.56 Cc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(C)o3)n2)n1 Homo sapiens CHEMBL1042012 cell-based format
CHEMBL434467 OBDepict CH 2 N N N O O N Ki = 0.707 nM 544.78 C=CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 Homo sapiens CHEMBL748548 cell-based format
CHEMBL157661 OBDepict Cl O N O N N H N Ki = 0.75 nM 591.24 O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCCC2CCCNC2)c2ccccc12 Homo sapiens CHEMBL748548 cell-based format
CHEMBL329536 OBDepict Cl O N O N H HN N Ki = 0.75 nM 591.24 O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC[C@@H]2CCCNC2)c2ccccc12 Homo sapiens CHEMBL748714 single protein format
CHEMBL159220 OBDepict H 3 C CH 3 N N N O O N Ki = 0.829 nM 546.8 CC(C)CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 Homo sapiens CHEMBL748548 cell-based format
CHEMBL116680 OBDepict N NH NH N N O OH CH 3 N O O CH 3 H 3 C CH 3 H 3 C H 3 C CH 3 IC50 < 1.0 nM 564.73 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCCN2CCC(C(C)(C)C)CC2)NC#N)c1 Homo sapiens CHEMBL756251 cell-based format
CHEMBL1771259 OBDepict CH 3 O Cl Cl CH 3 N N N CH 3 N H HN O Ki = 1.0 nM 464.4 COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 Homo sapiens CHEMBL1771962 cell-based format
CHEMBL470495 OBDepict CH 3 N O N H NH 2 HN H N H O O HO Ki = 1.2 nM 529.64 CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 Homo sapiens CHEMBL1011812 cell-based format
CHEMBL331937 OBDepict Cl O N O N H HN N Ki = 1.4 nM 591.24 O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC[C@H]2CCCNC2)c2ccccc12 Homo sapiens CHEMBL748712 cell-based format
CHEMBL50184 OBDepict H 3 C S H 3 C N N N H N O Cl HN O O CH 3 CH 3 IC50 = 1.4 nM 558.15 CCc1sc(CCc2cc(N3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C Homo sapiens CHEMBL756252 cell-based format
CHEMBL567928 OBDepict F N N H N N S O N O H 3 C H 3 C IC50 = 1.5 nM 429.52 Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(F)n3)n2)oc1C Homo sapiens CHEMBL1042012 cell-based format
CHEMBL158392 OBDepict CH 3 N CH 3 N N O O N Ki = 1.61 nM 532.77 CC(C)N1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 Homo sapiens CHEMBL748548 cell-based format
CHEMBL155925 OBDepict H 3 C N N N O O N Ki = 1.62 nM 504.72 CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 Homo sapiens CHEMBL748548 cell-based format
CHEMBL347804 OBDepict CH 2 N N N O O N Ki = 1.63 nM 530.76 C=CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc32)CC1 Homo sapiens CHEMBL748548 cell-based format
CHEMBL566889 OBDepict CH 3 N N H N N S O N S O O CH 3 CH 3 IC50 = 1.7 nM 473.62 Cc1cccc(CNc2cc(N3CCS(=O)(=O)CC3)cc(CSc3nc(C)c(C)o3)n2)n1 Homo sapiens CHEMBL1042012 cell-based format
CHEMBL61532 OBDepict Cl O N N O N H N Ki = 1.7 nM 525.14 Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1 Homo sapiens CHEMBL748714 single protein format
CHEMBL567941 OBDepict F N N H N N S O N O CH 3 CH 3 IC50 = 1.8 nM 443.55 Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(CF)n3)n2)oc1C Homo sapiens CHEMBL1042012 cell-based format
CHEMBL340369 OBDepict Cl O N O N NH N Ki = 1.9 nM 577.21 O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCC2CCNCC2)c2ccccc12 Homo sapiens CHEMBL748712 cell-based format
CHEMBL187555 OBDepict CH 3 O OH H 3 C N CH 3 O O N H CH 3 N H O N H N O CH 3 IC50 = 2.0 nM 591.71 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3OC)CC2)c1 Homo sapiens CHEMBL827935 cell-based format
CHEMBL188271 OBDepict CH 3 O HO CH 3 N CH 3 O O N H H 3 C N H O N H N IC50 = 2.0 nM 561.68 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3)CC2)c1 Homo sapiens CHEMBL827935 cell-based format
CHEMBL126618 OBDepict CH 3 O OH H 3 C N CH 3 O O N H CH 3 N H O N OH Ki = 2.7 nM 576.69 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(O)c3)CC2)c1 Homo sapiens CHEMBL748549 cell-based format
CHEMBL328288 OBDepict H 3 C HN CH 3 N H O N O N N H H 2 N HO Ki = 2.9 nM 500.6 CC(C)NC(=O)Nc1cccc(CN2C(=O)C(/N=C(N)Nc3ccc(O)cc3)CCc3ccccc32)c1 Homo sapiens CHEMBL752582 cell-based format
CHEMBL187399 OBDepict CH 3 O HO CH 3 N CH 3 O O N H H 3 C N H O N H N N IC50 = 3.0 nM 586.69 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3C#N)CC2)c1 Homo sapiens CHEMBL827935 cell-based format
CHEMBL1771260 OBDepict CH 3 O Cl Cl H 3 C N N N CH 3 N H NH O Ki = 3.0 nM 478.42 CCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 Homo sapiens CHEMBL1771962 cell-based format
CHEMBL324554 OBDepict H 3 C O N NH NH O O HO H 3 C N O O CH 3 CH 3 H 3 C Ki = 3.3 nM 590.72 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1 Homo sapiens CHEMBL748549 cell-based format
CHEMBL187491 OBDepict CH 3 O OH H 3 C N CH 3 O O N H CH 3 N H O N H N H 3 C IC50 = 4.0 nM 575.71 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3C)CC2)c1 Homo sapiens CHEMBL827935 cell-based format
CHEMBL361273 OBDepict N NH NH N NH O OH CH 3 N O O CH 3 N H 3 C CH 3 CH 3 IC50 = 4.0 nM 599.74 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3C)CC2)NC#N)c1 Homo sapiens CHEMBL827935 cell-based format
CHEMBL31913 OBDepict CH 3 O OH H 3 C N CH 3 O O N H CH 3 N H O N O CH 3 Ki = 4.1 nM 590.72 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3ccccc3OC)CC2)c1 Homo sapiens CHEMBL748549 cell-based format
CHEMBL324554 OBDepict H 3 C O N NH NH O O HO H 3 C N O O CH 3 CH 3 H 3 C IC50 = 4.2 nM 590.72 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(OC)c3)CC2)c1 Homo sapiens CHEMBL756250 cell-based format
CHEMBL566663 OBDepict CH 3 O N N H N N S O N O H 3 C CH 3 IC50 = 4.3 nM 455.58 COCc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(C)c(C)o3)n2)n1 Homo sapiens CHEMBL1042012 cell-based format
CHEMBL1774206 OBDepict NH 2 NH N O N H NH 2 HN H N H O O HO Ki = 4.3 nM 587.73 NCCCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 Homo sapiens CHEMBL1777096 cell-based format
CHEMBL52108 OBDepict CH 3 S CH 3 N N N H O O Cl NH O O CH 3 H 3 C IC50 = 4.4 nM 573.16 CCc1sc(CCc2cc(OC3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C Homo sapiens CHEMBL756252 cell-based format
CHEMBL265752 OBDepict NH N N O O N Ki = 4.5 nM 490.69 c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCNCC2)cc1 Homo sapiens CHEMBL748548 cell-based format
CHEMBL470496 OBDepict H 3 C O N O NH H 2 N NH H N H O O OH Ki = 4.5 nM 545.64 CCOC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 Homo sapiens CHEMBL1011806 cell-based format
CHEMBL145714 OBDepict Cl O N N CH 3 N N Ki = 4.5 nM 523.17 Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCN2CCCCC2)CC1 Homo sapiens CHEMBL750755 cell-based format
CHEMBL44246 OBDepict NH 2 N H NH N H N H O O OH Ki = 4.6 nM 473.58 N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 Homo sapiens CHEMBL748714 single protein format
CHEMBL121799 OBDepict Cl O N H 3 C N Ki = 4.6 nM 382.94 Cn1c(COc2ccc(Cl)cc2)c(CCN2CCCCC2)c2ccccc21 Homo sapiens CHEMBL748712 cell-based format
CHEMBL2113710 OBDepict CH 3 O N H N S N Cl N H H 3 C CH 3 O O CH 3 CH 3 IC50 = 4.7 nM 571.19 CC/C=CCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 Homo sapiens CHEMBL756252 cell-based format
CHEMBL1771262 OBDepict CH 3 O Cl Cl CH 3 N N N H 3 C NH NH H 3 C O Ki = 5.0 nM 478.42 COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1 Homo sapiens CHEMBL1771962 cell-based format
CHEMBL1771264 OBDepict CH 3 O Cl Cl CH 3 N N N CH 3 N H HN F Ki = 5.0 nM 480.42 COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCCCC4F)cc(C)nc23)c(Cl)c1 Homo sapiens CHEMBL1771962 cell-based format
CHEMBL89078 OBDepict CH 3 NH H 3 C HN O N O N H N H O S N Ki = 5.1 nM 542.67 CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ncsc4c3)CCc3ccccc32)c1 Homo sapiens CHEMBL752582 cell-based format
CHEMBL584908 OBDepict F N N H N N S O N O H 3 C H 3 C IC50 = 5.2 nM 429.52 Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3ccnc(F)c3)n2)oc1C Homo sapiens CHEMBL1042012 cell-based format
CHEMBL113935 OBDepict N NH NH N N O OH CH 3 N O O CH 3 H 3 C CH 3 IC50 = 5.4 nM 584.72 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCCN2CCC(c3ccccc3)CC2)NC#N)c1 Homo sapiens CHEMBL756251 cell-based format
CHEMBL51284 OBDepict CH 3 O CH 3 HN N S N Cl HN CH 3 CH 3 O O CH 3 CH 3 IC50 = 5.5 nM 559.18 CCc1sc(CCc2cc(OC(CC)CC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C Homo sapiens CHEMBL756252 cell-based format
CHEMBL44246 OBDepict NH 2 N H NH N H N H O O OH IC50 = 5.9 nM 473.58 N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 Homo sapiens CHEMBL756255 cell-based format
CHEMBL360205 OBDepict CH 3 O OH H 3 C N CH 3 O O N H CH 3 N H O N H N HO IC50 = 6.0 nM 577.68 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3O)CC2)c1 Homo sapiens CHEMBL827935 cell-based format
CHEMBL330223 OBDepict Cl O N N O H N H H NH Ki = 6.0 nM 525.14 Clc1ccc(OCc2nc3c(OCCC[C@@H]4CCCNC4)cccc3n2CCC[C@@H]2CCCNC2)cc1 Homo sapiens CHEMBL748714 single protein format
CHEMBL91462 OBDepict Cl O N N O N H HN Ki = 7.0 nM 511.11 Clc1ccc(OCc2nc3c(OCCC4CCNCC4)cccc3n2CCCC2CCCNC2)cc1 Homo sapiens CHEMBL748714 single protein format
CHEMBL1771258 OBDepict H 3 C N N H N N CH 3 NH Cl Cl O Ki = 7.0 nM 434.37 Cc1cc(NCCNC2CCOCC2)n2nc(C)c(-c3c(Cl)cccc3Cl)c2n1 Homo sapiens CHEMBL1771962 cell-based format
CHEMBL561999 OBDepict H 3 C O N H CH 3 H H CH 3 H 3 C H N O N O Ki = 7.3 nM 545.77 COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 Homo sapiens CHEMBL1053228 cell-based format
CHEMBL262904 OBDepict CH 3 N N H N H O N OH N H N H O H 3 C CH 3 Ki = 7.3 nM 514.63 C/N=C(/Nc1ccc(O)cc1)NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O Homo sapiens CHEMBL752582 cell-based format
CHEMBL549851 OBDepict CH 3 O N H CH 3 H H H 3 C H 3 C H N O Ki = 7.4 nM 524.75 COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(c4ccccc4)CC3)C(C)(C)C2)cc1 Homo sapiens CHEMBL1053228 cell-based format
CHEMBL316366 OBDepict H 3 C HN CH 3 N H O N O N H N H O F Ki = 7.6 nM 503.58 CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccccc3F)CCc3ccccc32)c1 Homo sapiens CHEMBL752582 cell-based format
CHEMBL567708 OBDepict F N N H N N S O N O CH 3 CH 3 IC50 = 7.7 nM 429.52 Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccnc3F)n2)oc1C Homo sapiens CHEMBL1042012 cell-based format
CHEMBL557948 OBDepict H 3 C HN CH 3 N H O N O N H N H O F F Ki = 7.8 nM 521.57 CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc(F)cc3F)CCc3ccccc32)c1 Homo sapiens CHEMBL752582 cell-based format
CHEMBL314656 OBDepict CH 3 NH H 3 C HN O N O N H N H O S Ki = 7.8 nM 541.68 CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ccsc4c3)CCc3ccccc32)c1 Homo sapiens CHEMBL752582 cell-based format
CHEMBL86898 OBDepict CH 3 NH H 3 C HN O N O N H N H O O Ki = 7.8 nM 525.61 CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4ccoc4c3)CCc3ccccc32)c1 Homo sapiens CHEMBL752582 cell-based format
CHEMBL511460 OBDepict H 3 C NH N O NH H 2 N NH H N H O O OH IC50 = 8.0 nM 544.66 CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 Homo sapiens CHEMBL3750539 cell-based format
CHEMBL360188 OBDepict CH 3 O OH H 3 C N CH 3 O O N H CH 3 N H O N H N Cl IC50 = 8.0 nM 596.13 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3cccc(Cl)c3)CC2)c1 Homo sapiens CHEMBL827935 cell-based format
CHEMBL566441 OBDepict F N N H N N S O N S O O CH 3 CH 3 IC50 = 8.0 nM 477.59 Cc1nc(SCc2cc(N3CCS(=O)(=O)CC3)cc(NCc3cccc(F)n3)n2)oc1C Homo sapiens CHEMBL1042012 cell-based format
CHEMBL1771261 OBDepict CH 3 O Cl Cl CH 3 N N N CH 3 N H HN O Ki = 8.0 nM 492.45 CCCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 Homo sapiens CHEMBL1771962 cell-based format
CHEMBL417912 OBDepict CH 3 O O CH 3 N H N S N Cl NH H 3 C H 3 C O O CH 3 H 3 C IC50 = 8.4 nM 561.15 CCc1sc(CCc2cc(OC(C)COC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C Homo sapiens CHEMBL756252 cell-based format
CHEMBL332347 OBDepict O N H N H H O N H 2 N NH 2 HO IC50 = 8.8 nM 473.58 NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 Homo sapiens CHEMBL1101404 cell-based format
CHEMBL420514 OBDepict CH 3 O HO CH 3 N CH 3 O O N H H 3 C N H O N Ki = 9.5 nM 566.74 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(C3CCCCC3)CC2)c1 Homo sapiens CHEMBL748549 cell-based format
CHEMBL188790 OBDepict N NH NH N NH O OH CH 3 N O O CH 3 N H 3 C CH 3 IC50 = 10.0 nM 585.71 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3)CC2)NC#N)c1 Homo sapiens CHEMBL827935 cell-based format
CHEMBL566664 OBDepict F O N N H N N S O N O H 3 C H 3 C IC50 = 10.0 nM 487.6 Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3cccc(COCCF)n3)n2)oc1C Homo sapiens CHEMBL1042012 cell-based format
CHEMBL125807 OBDepict CH 3 O HO CH 3 N CH 3 O O N H H 3 C N H O N Ki = 10.0 nM 560.7 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3ccccc3)CC2)c1 Homo sapiens CHEMBL748549 cell-based format
CHEMBL558133 OBDepict H 3 C N H CH 3 H H H 3 C CH 3 H N O N O Ki = 10.0 nM 529.77 Cc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 Homo sapiens CHEMBL1053228 cell-based format
CHEMBL52282 OBDepict H 3 C S H 3 C N N N H O Cl NH O O H 3 C CH 3 IC50 = 11.0 nM 543.13 CCc1sc(CCc2cc(OC3CCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C Homo sapiens CHEMBL756252 cell-based format
CHEMBL264820 OBDepict CH 3 S CH 3 N N N H O Cl NH O O CH 3 H 3 C IC50 = 11.0 nM 557.16 CCc1sc(CCc2cc(OC3CCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C Homo sapiens CHEMBL756252 cell-based format
CHEMBL392943 OBDepict CH 3 N N O N O Cl N H 3 C IC50 = 11.0 nM 531.1 CN1CCC(Cn2c3ccccc3c3cc(C(=O)N4CCN(C)CC4)cc(Oc4ccc(Cl)cc4)c32)CC1 Homo sapiens CHEMBL885426 cell-based format
CHEMBL357914 OBDepict H 3 C O O Br S N N CH 3 CH 3 Ki = 11.0 nM 517.53 COCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 Homo sapiens CHEMBL748546 cell-based format
CHEMBL344530 OBDepict H 3 C H 3 C N N N O CH 3 Cl Ki = 11.0 nM 468.09 Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCC(C)C)CC1 Homo sapiens CHEMBL750755 cell-based format
CHEMBL124152 OBDepict CH 3 O OH H 3 C N CH 3 O O N H CH 3 N H O N N O CH 3 IC50 = 12.0 nM 591.71 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 Homo sapiens CHEMBL827935 cell-based format
CHEMBL298983 OBDepict CH 3 S CH 3 N N N H O H 3 C CH 3 Cl NH O O CH 3 H 3 C IC50 = 12.0 nM 531.12 CCc1sc(CCc2cc(OC(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C Homo sapiens CHEMBL756252 cell-based format
CHEMBL472901 OBDepict CH 3 N O HN NH 2 HN H N H O O HO Ki = 12.0 nM 515.61 CC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 Homo sapiens CHEMBL1011806 cell-based format
CHEMBL124152 OBDepict CH 3 O OH H 3 C N CH 3 O O N H CH 3 N H O N N O CH 3 Ki = 12.0 nM 591.71 COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1 Homo sapiens CHEMBL748549 cell-based format
CHEMBL144935 OBDepict N O Br S N N CH 3 CH 3 Ki = 13.0 nM 498.49 CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C#N)sc3ccccc23)CC1 Homo sapiens CHEMBL748546 cell-based format
CHEMBL329366 OBDepict CH 3 NH H 3 C HN O N O N H N H O S Ki = 13.0 nM 541.68 CC(C)NC(=O)Nc1cccc(CN2C(=O)C(NC(=O)Nc3ccc4sccc4c3)CCc3ccccc32)c1 Homo sapiens CHEMBL752582 cell-based format
CHEMBL332347 OBDepict O N H N H H O N H 2 N NH 2 HO Ki = 14.9 nM 473.58 NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 Homo sapiens CHEMBL748549 cell-based format
CHEMBL145056 OBDepict OH O Br S N N H 3 C H 3 C Ki = 15.0 nM 503.51 CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3CO)sc3ccccc23)CC1 Homo sapiens CHEMBL748546 cell-based format
CHEMBL330095 OBDepict CH 3 N N H N H O N N H N H O H 3 C CH 3 Ki = 15.0 nM 498.63 C/N=C(/Nc1ccccc1)NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O Homo sapiens CHEMBL752582 cell-based format
CHEMBL562000 OBDepict CH 3 O N H CH 3 H H H 3 C H 3 C H N O N O CH 3 H 3 C Ki = 15.0 nM 519.73 COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N(C)C)(c4ccccc4)CC3)C(C)(C)C2)cc1 Homo sapiens CHEMBL1053228 cell-based format
CHEMBL2046865 OBDepict NH 2 NH HN HN H O O HO Ki = 15.0 nM 486.62 N=C(N)NCCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)CCc1ccc(O)cc1 Homo sapiens CHEMBL2051172 cell-based format
CHEMBL411795 OBDepict CH 3 N N O O N Cl HN IC50 = 16.0 nM 517.07 CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2CCNCC2)CC1 Homo sapiens CHEMBL885426 cell-based format
CHEMBL48950 OBDepict CH 3 O N H N S N Cl N H H 3 C CH 3 O O CH 3 CH 3 IC50 = 16.0 nM 545.15 CCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 Homo sapiens CHEMBL756252 cell-based format