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Q96PD7 | DGAT2_HUMAN | Diacylglycerol O-acyltransferase 2 (DGAT2)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4107035 OBDepict O N H N N N N H O F F F IC50 = 1.7 nM 459.47 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(OC(F)(F)F)c4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL3734797 OBDepict O HN H H O N N CH 3 N NH O O H 3 C H 3 C CH 3 F F F IC50 = 2.0 nM 571.6 Cc1noc([C@H]2C[C@@H]2C(=O)NCc2ccc(-c3cccc(OC(F)(F)F)c3)c3c2CN(C(=O)NC(C)(C)C)CC3)n1 Homo sapiens CHEMBL3737415 cell-based format
CHEMBL4868285 OBDepict CH 3 O N O F N N N HN O H NH H F IC50 = 2.4 nM 456.45 CCOc1cc(F)cnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNCC[C@H]3F)cn2)c1 Homo sapiens CHEMBL4827630 cell-based format
CHEMBL4114076 OBDepict H 3 C H 3 C N S N N H N N H N O IC50 = 2.71 nM 438.6 CC(C)Cc1csc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)n1 Homo sapiens CHEMBL3888181 assay format
CHEMBL3734847 OBDepict CH 3 O N N H N H O O H CH 3 CH 3 CH 3 H O N N H 3 C IC50 = 3.0 nM 517.63 COc1cccc(-c2ccc(CNC(=O)[C@H]3C[C@@H]3c3nc(C)no3)c3c2CCN(C(=O)NC(C)(C)C)C3)c1 Homo sapiens CHEMBL3737415 cell-based format
CHEMBL4106571 OBDepict O N H N N N N H S N CH 3 CH 3 H 3 C IC50 = 3.18 nM 438.6 CC(C)(C)c1csc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)n1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4114492 OBDepict O N H N N N N H N IC50 = 3.58 nM 414.51 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(C5CC5)n4)[nH]c3n2)C1)N1CC=CC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4845799 OBDepict CH 3 O N O F N N N HN O H NH H F HO O IC50 = 3.8 nM 502.48 CCOc1cc(F)cnc1Oc1cncc(-c2ncc(C(=O)N[C@H]3CNCC[C@@H]3F)cn2)c1.O=CO Homo sapiens CHEMBL4827630 cell-based format
CHEMBL3734764 OBDepict CH 3 O N N H N H O O H CH 3 CH 3 CH 3 H IC50 = 4.0 nM 511.67 COc1cccc(-c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)c3c2CCN(C(=O)NC(C)(C)C)C3)c1 Homo sapiens CHEMBL3737415 cell-based format
CHEMBL4877520 OBDepict CH 3 O N O F N N N HN O H NH H F IC50 = 4.1 nM 456.45 CCOc1cc(F)cnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNC[C@@H](F)C3)cn2)c1 Homo sapiens CHEMBL4827630 cell-based format
CHEMBL4112256 OBDepict Cl N N H N N H N O IC50 = 4.56 nM 409.92 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(Cl)c4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4114844 OBDepict O N H N N N N H N N IC50 = 4.82 nM 441.54 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(-n5cccn5)c4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4109153 OBDepict H 3 C O O N N H N N H N O IC50 = 5.27 nM 487.6 CCOC(=O)C1(c2cccc(-c3nc4ccc(N5CCC[C@@H](C(=O)N6CCCC6)C5)nc4[nH]3)c2)CC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4115482 OBDepict O N H N N N N H F F F IC50 = 5.68 nM 483.54 O=C([C@@H]1CCCN(c2ccc3nc(C4(c5ccc(C(F)(F)F)cc5)CC4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4113426 OBDepict O N H N N F N N H N N IC50 = 6.32 nM 435.51 O=C([C@@H]1CCCN(c2nc3[nH]c(-c4ccnc(C5CC5)n4)nc3cc2F)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4112999 OBDepict CH 3 N S N N H N N H N O IC50 = 6.47 nM 410.55 CCc1csc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)n1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4115512 OBDepict O N H N N N N H S N CH 3 H 3 C IC50 = 6.64 nM 424.57 CC(C)c1csc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)n1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4108326 OBDepict O N H N N N N H N O IC50 = 6.85 nM 442.52 O=C([C@@H]1CCCN(c2ccc3nc(-c4coc(-c5ccccc5)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4112473 OBDepict H 3 C O O N N H N N H N O IC50 = 7.16 nM 475.59 CCOC(=O)CCc1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)c1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4112953 OBDepict F O F N N H N N H N O IC50 = 7.41 nM 441.48 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(OC(F)F)c4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4114546 OBDepict H N N N N N N H N O IC50 = 7.81 nM 445.57 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(N5CCCC5)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4113506 OBDepict H 3 C N N H N N H N O IC50 = 8.24 nM 389.5 Cc1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)c1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4113194 OBDepict O N H N N N N H N N IC50 = 9.21 nM 431.54 O=C([C@@H]1CCCN(c2ccc3nc(-c4ccnc(C5CCC5)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4112343 OBDepict O N H N N N N H N F F F IC50 = 9.23 nM 444.46 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(C(F)(F)F)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4107221 OBDepict O N H N N N N H S N IC50 = 9.55 nM 422.56 O=C([C@@H]1CCCN(c2ccc3nc(-c4nc(C5CC5)cs4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4111916 OBDepict O N H N N N N N H N F F F IC50 = 10.5 nM 445.45 O=C([C@@H]1CCCN(c2ncc3nc(-c4cccc(C(F)(F)F)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4113618 OBDepict Cl O N N H N N H N O IC50 = 10.7 nM 439.95 O=C([C@@H]1CCCN(c2ccc3nc(COc4ccc(Cl)cc4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4109197 OBDepict O N H N N N N H N F F IC50 = 10.9 nM 426.47 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(C(F)F)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4875314 OBDepict H 3 C O N O N N N NH O H HN H F IC50 = 11.0 nM 438.46 CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNC[C@@H](F)C3)cn2)c1 Homo sapiens CHEMBL4827630 cell-based format
CHEMBL4108722 OBDepict O N H N N N N H O N IC50 = 11.5 nM 442.52 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(-c5cnco5)c4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4110880 OBDepict H 3 C O N N N H N N H N O IC50 = 12.6 nM 406.49 COc1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)n1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4098964 OBDepict Cl N N N N H N N H N O IC50 = 13.8 nM 439.95 O=C([C@@H]1CCCN(c2ccc3nc(C4(n5cc(Cl)cn5)CC4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4115600 OBDepict F O F N N N H N N H N O IC50 = 14.3 nM 442.47 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(OC(F)F)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL3893203 OBDepict Cl N N CH 3 H N N H N N H N O IC50 = 14.5 nM 427.94 C[C@@H](c1nc2ccc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2[nH]1)n1cc(Cl)cn1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4111585 OBDepict O N H N F F N N N H N IC50 = 15.2 nM 452.51 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(C5CC5)n4)[nH]c3n2)C1)N1CCC(F)(F)C1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4115576 OBDepict Cl N N N H N N H N O IC50 = 16.3 nM 410.91 O=C([C@@H]1CCCN(c2ccc3nc(-c4cncc(Cl)c4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4278523 OBDepict CH 3 S O O HO Cl N N N N H N N H N O IC50 = 17.0 nM 536.06 CS(=O)(=O)O.O=C([C@@H]1CCCN(c2ccc3nc(C4(n5cc(Cl)cn5)CC4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL4261855 single protein format
CHEMBL4456029 OBDepict H 3 C O N N N N NH O H O IC50 = 17.0 nM 405.46 CCOc1cccnc1Cc1cncc(-c2ncc(C(=O)N[C@H]3CCOC3)cn2)c1 Homo sapiens CHEMBL4344285 cell-based format
CHEMBL4113893 OBDepict O N H N N N N H N N IC50 = 18.2 nM 417.52 O=C([C@@H]1CCCN(c2ccc3nc(-c4ccnc(C5CC5)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4110005 OBDepict Cl N N CH 3 H N N H N N N H N O IC50 = 18.9 nM 428.93 C[C@H](c1nc2cnc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2[nH]1)n1cc(Cl)cn1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4111278 OBDepict Cl N N N N H N N H N O IC50 = 18.9 nM 437.94 O=C([C@@H]1CCCN(c2ccc3nc(C4(n5cc(Cl)cn5)CC4)[nH]c3n2)C1)N1CC=CC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4873964 OBDepict H 3 C O N O N N N NH O H HN F F IC50 = 20.0 nM 456.45 CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNCC(F)(F)C3)cn2)c1 Homo sapiens CHEMBL4827630 cell-based format
CHEMBL4107041 OBDepict H 3 C O N N H N N H N O IC50 = 20.7 nM 405.5 COc1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)c1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4108255 OBDepict H 3 C N H S O O N N H N N H N O IC50 = 21.1 nM 468.58 CNS(=O)(=O)c1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)c1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4114945 OBDepict F N N H N N H N O IC50 = 21.2 nM 393.47 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(F)c4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4109736 OBDepict H N N N N N N H N O IC50 = 21.5 nM 431.54 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(N5CCC5)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4109777 OBDepict O N H N N N N H N N IC50 = 22.1 nM 441.54 O=C([C@@H]1CCCN(c2ccc3nc(-c4cnn(-c5ccccc5)c4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4112322 OBDepict O N H N N N N H N N CH 3 H 3 C IC50 = 22.2 nM 419.53 CN(C)c1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)n1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4867621 OBDepict CH 3 O N O N N N HN O H NH H F IC50 = 23.0 nM 438.46 CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CNCC[C@@H]3F)cn2)c1 Homo sapiens CHEMBL4827630 cell-based format
CHEMBL4111041 OBDepict O N H O N N N N H N IC50 = 24.8 nM 418.5 O=C([C@H]1CN(c2ccc3nc(-c4cccc(C5CC5)n4)[nH]c3n2)CCO1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4110253 OBDepict O N H N N N N H O F F F IC50 = 24.8 nM 459.47 O=C([C@@H]1CCCN(c2ccc3nc(-c4ccc(OC(F)(F)F)cc4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4108006 OBDepict O N H N N N N N H N N IC50 = 28.2 nM 418.51 O=C([C@@H]1CCCN(c2ncc3nc(-c4ccnc(C5CC5)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4112783 OBDepict Cl N N N N H N N N H N O IC50 = 28.7 nM 440.94 O=C([C@@H]1CCCN(c2ncc3nc(C4(n5cc(Cl)cn5)CC4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4110443 OBDepict H 3 C O O N H 3 C N N H N N H N O IC50 = 28.9 nM 476.58 CCOC(=O)c1cc(CC)nc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)c1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4113042 OBDepict H N N N N N N N H N O IC50 = 29.2 nM 446.56 O=C([C@@H]1CCCN(c2ccc3nc(-c4ccnc(N5CCCC5)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4115123 OBDepict Cl N N CH 3 H 3 C N N H N N H N O IC50 = 31.4 nM 441.97 CC(C)(c1nc2ccc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2[nH]1)n1cc(Cl)cn1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4108600 OBDepict Cl N N CH 3 H N N H N N H N O IC50 = 33.7 nM 427.94 C[C@H](c1nc2ccc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2[nH]1)n1cc(Cl)cn1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4108716 OBDepict CH 3 S N N N N H N N H N O IC50 = 34.1 nM 451.6 CSc1cnn(C2(c3nc4ccc(N5CCC[C@@H](C(=O)N6CCCC6)C5)nc4[nH]3)CC2)c1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4107277 OBDepict O N H N F F N N N H N N IC50 = 34.4 nM 453.5 O=C([C@@H]1CCCN(c2ccc3nc(-c4ccnc(C5CC5)n4)[nH]c3n2)C1)N1CCC(F)(F)C1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4108794 OBDepict N N N H N N H N O IC50 = 34.5 nM 400.49 N#Cc1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)c1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4115249 OBDepict O N H N N N N H S N CH 3 IC50 = 35.0 nM 396.52 Cc1csc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)n1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4114554 OBDepict O N H N H F N N N H N N IC50 = 35.4 nM 435.51 O=C([C@@H]1CCCN(c2ccc3nc(-c4ccnc(C5CC5)n4)[nH]c3n2)C1)N1CC[C@@H](F)C1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4108000 OBDepict O N H N N N N H N CH 3 IC50 = 36.5 nM 390.49 Cc1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)n1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4280459 OBDepict Cl N N CH 3 N N H N N N H N O IC50 = 37.0 nM 428.93 CC(c1nc2cnc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2[nH]1)n1cc(Cl)cn1 Homo sapiens CHEMBL4261855 single protein format
CHEMBL4109323 OBDepict H 3 C O O O N H 3 C N N H N N H N O IC50 = 37.3 nM 478.55 CCOC(=O)c1cc(OC)nc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)c1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4109385 OBDepict O N H N N N N H N IC50 = 37.5 nM 416.53 O=C([C@@H]1CCCN(c2ccc3nc(-c4cncc(C5CC5)c4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4113012 OBDepict CH 3 O O N N H N N H N O IC50 = 41.5 nM 447.54 COC(=O)Cc1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)c1 Homo sapiens CHEMBL3888181 assay format
CHEMBL3894990 OBDepict Cl N N CH 3 H N N H N N N H N O IC50 = 43.0 nM 428.93 C[C@@H](c1nc2cnc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2[nH]1)n1cc(Cl)cn1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4108080 OBDepict O N H CH 3 H 3 C N N N N H N IC50 = 47.3 nM 390.49 CN(C)C(=O)[C@@H]1CCCN(c2ccc3nc(-c4cccc(C5CC5)n4)[nH]c3n2)C1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4113043 OBDepict H 3 C N H S O O N N N H N N H N O IC50 = 47.8 nM 469.57 CNS(=O)(=O)c1cncc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)c1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4112049 OBDepict O N H N N N N H N IC50 = 48.1 nM 416.53 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(C5CC5)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4107187 OBDepict H 3 C O O N N H N N H N O IC50 = 54.0 nM 433.51 COC(=O)c1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)c1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4106957 OBDepict O N H N N N N H N N IC50 = 54.7 nM 415.5 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc5ccnn45)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4111728 OBDepict O N H N H F H F N N N H N N IC50 = 54.7 nM 453.5 O=C([C@@H]1CCCN(c2ccc3nc(-c4ccnc(C5CC5)n4)[nH]c3n2)C1)N1C[C@@H](F)[C@H](F)C1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4109549 OBDepict H N N N N N N H N O H H 3 C IC50 = 58.2 nM 431.54 C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(c2ccc3nc(-c4ccnc(C5CC5)n4)[nH]c3n2)C1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4113053 OBDepict O N H N H F N N N H N N IC50 = 59.3 nM 435.51 O=C([C@@H]1CCCN(c2ccc3nc(-c4ccnc(C5CC5)n4)[nH]c3n2)C1)N1CC[C@H](F)C1 Homo sapiens CHEMBL3888181 assay format
CHEMBL3735235 OBDepict CH 3 O N N H O O O H CH 3 CH 3 CH 3 H IC50 = 60.0 nM 512.65 COc1cccc(-c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)c3c2CCN(C(=O)OC(C)(C)C)C3)c1 Homo sapiens CHEMBL3737415 cell-based format
CHEMBL4109929 OBDepict O N H N N N N H N N IC50 = 60.5 nM 417.52 O=C([C@@H]1CCCN(c2ccc3nc(-c4cncc(C5CC5)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4108495 OBDepict O N H N N N N H N OH IC50 = 62.3 nM 432.53 O=C([C@@H]1CCCN(c2ccc3nc(-c4cccc(C5(O)CC5)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4112678 OBDepict N N N H N N H N O IC50 = 63.6 nM 400.49 N#Cc1ccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)cc1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4111459 OBDepict O N H N N N N H IC50 = 66.2 nM 375.48 O=C([C@@H]1CCCN(c2ccc3nc(-c4ccccc4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4114096 OBDepict O N H N N N N H N OH CH 3 H 3 C IC50 = 67.9 nM 434.54 CC(C)(O)c1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)n1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4113076 OBDepict O N H N N N N H IC50 = 69.7 nM 415.54 O=C([C@@H]1CCCN(c2ccc3nc(C4(c5ccccc5)CC4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4111437 OBDepict O N H N N N N N H N N IC50 = 71.6 nM 418.51 O=C([C@@H]1CCCN(c2cnc3nc(-c4ccnc(C5CC5)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4108299 OBDepict O N H N N N N H N N IC50 = 72.5 nM 417.52 O=C([C@@H]1CCCN(c2ccc3nc(-c4nccc(C5CC5)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4109903 OBDepict O N H N N N N H N OH CH 3 H 3 C IC50 = 72.8 nM 434.54 CC(C)(O)c1cc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)ccn1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4112665 OBDepict O N H N F F N N N H N N IC50 = 73.4 nM 439.47 O=C([C@@H]1CCCN(c2ccc3nc(-c4ccnc(C5CC5)n4)[nH]c3n2)C1)N1CC(F)(F)C1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4108733 OBDepict CH 3 N N H N N H N O IC50 = 73.7 nM 429.57 Cc1ccc(C2(c3nc4ccc(N5CCC[C@@H](C(=O)N6CCCC6)C5)nc4[nH]3)CC2)cc1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4114023 OBDepict Cl N N N N H N N H N O F F IC50 = 74.2 nM 461.9 O=C([C@@H]1CCCN(c2ccc3nc(C4(n5cc(Cl)cn5)CC4)[nH]c3n2)C1)N1CC(F)(F)C1 Homo sapiens CHEMBL3888181 assay format
CHEMBL2178953 OBDepict HO O H H N H 3 C N O NH 2 CH 3 IC50 = 80.0 nM 367.45 Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)nc1C(N)=O Homo sapiens CHEMBL4344285 cell-based format
CHEMBL4111752 OBDepict Cl N N N N H N N N H H 3 C H N O IC50 = 82.8 nM 454.97 C[C@@H]1CC[C@@H](C(=O)N2CCCC2)CN1c1ncc2nc(C3(n4cc(Cl)cn4)CC3)[nH]c2n1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4113825 OBDepict O N H N N N N H N O H 2 N IC50 = 83.0 nM 419.49 NC(=O)c1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)n1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4114952 OBDepict O N H N N N N H N N F F F IC50 = 83.8 nM 473.5 O=C([C@@H]1CCCN(c2ccc3nc(C4(n5cc(C(F)(F)F)cn5)CC4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4109893 OBDepict CH 3 H 3 C O N O N N H N N H N O IC50 = 86.4 nM 482.63 CC(C)COC(=O)N1CCCC(c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)C1 Homo sapiens CHEMBL3888181 assay format
CHEMBL3930155 OBDepict F N N CH 3 H N N H N N H N O IC50 = 88.6 nM 411.49 C[C@@H](c1nc2ccc(N3CCC[C@@H](C(=O)N4CCCC4)C3)nc2[nH]1)n1cc(F)cn1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4108726 OBDepict O N H N N N N H N N N H IC50 = 89.6 nM 432.53 O=C([C@@H]1CCCN(c2ccc3nc(-c4ccnc(NC5CC5)n4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4108068 OBDepict O N H N N N N H S O O NH 2 IC50 = 90.3 nM 454.56 NS(=O)(=O)c1cccc(-c2nc3ccc(N4CCC[C@@H](C(=O)N5CCCC5)C4)nc3[nH]2)c1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4114906 OBDepict Cl N N N N H N N H N O H H 3 C IC50 = 91.0 nM 453.98 C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(c2ccc3nc(C4(n5cc(Cl)cn5)CC4)[nH]c3n2)C1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4107196 OBDepict O N H O N N N N H N F F IC50 = 91.3 nM 428.44 O=C([C@H]1CN(c2ccc3nc(-c4cccc(C(F)F)n4)[nH]c3n2)CCO1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format
CHEMBL4115637 OBDepict O N H N N N N H N IC50 = 94.4 nM 416.53 O=C([C@@H]1CCCN(c2ccc3nc(-c4cc(C5CC5)ccn4)[nH]c3n2)C1)N1CCCC1 Homo sapiens CHEMBL3888181 assay format