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Q99685 | MGLL_HUMAN | Monoglyceride lipase (MGLL)

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
CHEMBL4749516 OBDepict O N H O H H N N O O F F F IC50 = 0.03 nM 475.47 O=C1CO[C@H]2CCN(C(=O)N3CC(c4ccc(-c5ccccc5OC(F)(F)F)cc4)C3)C[C@H]2N1 Homo sapiens CHEMBL4689514 single protein format
CHEMBL4759880 OBDepict O N H O H H N N O Cl Cl IC50 = 0.04 nM 460.36 O=C1CO[C@H]2CCN(C(=O)N3CC(c4ccc(-c5ccc(Cl)cc5Cl)cc4)C3)C[C@H]2N1 Homo sapiens CHEMBL4689514 single protein format
CHEMBL4785835 OBDepict O N H O H H N N O F F F IC50 = 0.04 nM 459.47 O=C1CO[C@H]2CCN(C(=O)N3CC(c4ccc(-c5ccccc5C(F)(F)F)cc4)C3)C[C@H]2N1 Homo sapiens CHEMBL4689514 single protein format
CHEMBL4745872 OBDepict O N H O H H N N O CH 3 CH 3 CH 3 IC50 = 0.07 nM 385.51 CC(C)(C)Cc1ccc(C2CN(C(=O)N3CC[C@@H]4OCC(=O)N[C@@H]4C3)C2)cc1 Homo sapiens CHEMBL4689514 single protein format
CHEMBL4756662 OBDepict CH 3 H N N O H NH H O O IC50 = 0.1 nM 447.58 Cc1ccc([C@@H](c2ccccc2)C2CCN(C(=O)N3CC[C@@H]4OCC(=O)N[C@@H]4C3)CC2)cc1 Homo sapiens CHEMBL4689514 single protein format
CHEMBL4749293 OBDepict N Cl N N O H N H H O O IC50 = 0.1 nM 450.93 N#Cc1cccc(Cl)c1-c1ccc(C2CN(C(=O)N3CC[C@@H]4OCC(=O)N[C@@H]4C3)C2)cc1 Homo sapiens CHEMBL4689514 single protein format
CHEMBL4059676 OBDepict O N O F F F F F F N N IC50 = 0.18 nM 393.29 O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2ccn(-c3ccccc3)n2)C1 Homo sapiens CHEMBL4032630 single protein format
CHEMBL4097203 OBDepict O N O F F F F F F N N F F IC50 = 0.18 nM 429.27 O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2ccn(-c3ccc(F)c(F)c3)n2)C1 Homo sapiens CHEMBL4032630 single protein format
CHEMBL4077745 OBDepict O N O F F F F F F N N IC50 = 0.3 nM 469.38 O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2cc(-c3ccccc3)n(-c3ccccc3)n2)C1 Homo sapiens CHEMBL4032630 single protein format
CHEMBL4089505 OBDepict O N O F F F F F F O N N IC50 = 0.38 nM 395.26 O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2nc(-c3ccccc3)no2)C1 Homo sapiens CHEMBL4032630 single protein format
CHEMBL4875383 OBDepict O N H O H H N N O O O Cl IC50 = 0.4 nM 471.94 O=C1CO[C@H]2CCN(C(=O)N3CC(OCc4ccc(Cl)cc4Oc4ccccc4)C3)C[C@H]2N1 Homo sapiens CHEMBL4818575 single protein format
CHEMBL3087181 OBDepict O N N N N O O O O IC50 = 0.4 nM 434.45 O=C(N1CCC(C(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1)n1cncn1 Homo sapiens CHEMBL3384490 cell-based format
CHEMBL4078217 OBDepict O N O F F F F F F N N IC50 = 0.41 nM 407.31 O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2ccn(Cc3ccccc3)n2)C1 Homo sapiens CHEMBL4032630 single protein format
CHEMBL2159781 OBDepict O N N N N N IC50 = 0.54 nM 397.48 O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2ccccc21 Homo sapiens CHEMBL2161050 single protein format
CHEMBL4216513 OBDepict O N N N N O O O O IC50 = 0.562 nM 432.44 O=C(N1CCC(=C(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1)n1cncn1 Homo sapiens CHEMBL4177794 single protein format
CHEMBL3356971 OBDepict O N N N N N O IC50 = 0.6 nM 363.42 O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1cncn1 Homo sapiens CHEMBL3384490 cell-based format
CHEMBL4204645 OBDepict O N N N Cl O N S IC50 = 0.64 nM 466.99 O=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(-c4ccccc4Cl)c3)C2)CC1 Homo sapiens CHEMBL4202162 assay format
CHEMBL4874643 OBDepict O N H O H H N N O Br F F F IC50 = 0.7 nM 490.32 O=C1CO[C@H]2CCN(C(=O)N3CC(CCc4ccc(C(F)(F)F)cc4Br)C3)C[C@H]2N1 Homo sapiens CHEMBL4818575 single protein format
CHEMBL3356958 OBDepict O N N N N IC50 = 0.7 nM 346.43 O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1ccnc1 Homo sapiens CHEMBL3384491 cell-based format
CHEMBL4079190 OBDepict O N O F F F F F F N N N N IC50 = 0.74 nM 395.26 O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2ccn(-c3cnccn3)n2)C1 Homo sapiens CHEMBL4032630 single protein format
CHEMBL4865707 OBDepict O N H O H H N N O CH 3 O CH 3 F F F IC50 = 0.9 nM 441.45 Cc1ccc(COC2CN(C(=O)N3CC[C@@H]4OCC(=O)N[C@@H]4C3)C2C)cc1C(F)(F)F Homo sapiens CHEMBL4818575 single protein format
CHEMBL1232635 OBDepict O N N N N N F F IC50 = 0.9 nM 383.4 O=C(N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)n1cncn1 Homo sapiens CHEMBL3384490 cell-based format
CHEMBL4869836 OBDepict O N H O H H N N O F F F F IC50 = 1.0 nM 429.41 O=C1CO[C@H]2CCN(C(=O)N3CC(CCc4ccc(C(F)(F)F)cc4F)C3)C[C@H]2N1 Homo sapiens CHEMBL4818575 single protein format
CHEMBL4075310 OBDepict F N N H H H N O O F F F F F F IC50 = 1.0 nM 437.31 O=C(OC(C(F)(F)F)C(F)(F)F)N1C[C@H]2[C@@H](C1)[C@@H]2c1ccn(-c2ccc(F)cc2)n1 Homo sapiens CHEMBL4037966 single protein format
CHEMBL4871897 OBDepict O N H O H H N N O O Cl F F F IC50 = 1.0 nM 447.84 O=C1CO[C@H]2CCN(C(=O)N3CC(OCc4ccc(C(F)(F)F)c(Cl)c4)C3)C[C@H]2N1 Homo sapiens CHEMBL4818575 single protein format
CHEMBL4848022 OBDepict O HN O H H N N O O Cl F F F IC50 = 1.0 nM 475.9 O=C1CO[C@H]2CCN(C(=O)N3CCC(COc4ccc(C(F)(F)F)cc4Cl)CC3)C[C@H]2N1 Homo sapiens CHEMBL4818575 single protein format
CHEMBL4870906 OBDepict OH F N O O S F F F Ki = 1.1 nM 503.52 O=C(c1ccc(Sc2cccc(C(F)(F)F)c2)cc1)C1CCN(C(=O)c2cc(O)ccc2F)CC1 Homo sapiens CHEMBL4832175 single protein format
CHEMBL4866490 OBDepict HO F N O O S O F F F Ki = 1.12 nM 519.52 O=C(c1ccc(Sc2cccc(OC(F)(F)F)c2)cc1)C1CCN(C(=O)c2cc(O)ccc2F)CC1 Homo sapiens CHEMBL4832175 single protein format
CHEMBL4852896 OBDepict OH F N O O S Cl Ki = 1.14 nM 469.97 O=C(c1ccc(Sc2cccc(Cl)c2)cc1)C1CCN(C(=O)c2cc(O)ccc2F)CC1 Homo sapiens CHEMBL4832175 single protein format
CHEMBL4205102 OBDepict O N N N H 3 C O N S IC50 = 1.2 nM 446.58 Cc1ccccc1-c1cccc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1 Homo sapiens CHEMBL4202162 assay format
CHEMBL4870906 OBDepict OH F N O O S F F F IC50 = 1.26 nM 503.52 O=C(c1ccc(Sc2cccc(C(F)(F)F)c2)cc1)C1CCN(C(=O)c2cc(O)ccc2F)CC1 Homo sapiens CHEMBL4832170 single protein format
CHEMBL3356956 OBDepict O N N N N N IC50 = 1.3 nM 347.42 O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1cncn1 Homo sapiens CHEMBL3384490 cell-based format
CHEMBL3785760 OBDepict F H O N H O N O O O + N O _ O IC50 = 1.41 nM 533.51 O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(N2C(=O)[C@H](c3ccc(F)cc3)[C@H]2c2ccc3c(c2)OCO3)CC1 Homo sapiens CHEMBL3791725 assay format
CHEMBL4852896 OBDepict OH F N O O S Cl IC50 = 1.5 nM 469.97 O=C(c1ccc(Sc2cccc(Cl)c2)cc1)C1CCN(C(=O)c2cc(O)ccc2F)CC1 Homo sapiens CHEMBL4832170 single protein format
CHEMBL3356957 OBDepict O N N N N N N IC50 = 1.7 nM 398.47 O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2cccnc21 Homo sapiens CHEMBL3384490 cell-based format
CHEMBL4866490 OBDepict HO F N O O S O F F F IC50 = 1.86 nM 519.52 O=C(c1ccc(Sc2cccc(OC(F)(F)F)c2)cc1)C1CCN(C(=O)c2cc(O)ccc2F)CC1 Homo sapiens CHEMBL4832170 single protein format
CHEMBL4102496 OBDepict O N O F F F F F F N N O IC50 = 1.9 nM 401.31 O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2ccn(C3CCOCC3)n2)C1 Homo sapiens CHEMBL4032630 single protein format
CHEMBL4068332 OBDepict O N O F F F F F F N N N O IC50 = 1.9 nM 414.31 O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2ccnc(N3CCOCC3)n2)C1 Homo sapiens CHEMBL4032630 single protein format
CHEMBL4522687 OBDepict O N O F F F F F F N N F F F H HO IC50 = 2.0 nM 523.4 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CC[C@H](O)C2)CC1 Homo sapiens CHEMBL4309849 subcellular format
CHEMBL4468636 OBDepict O N O F F F F F F N N F F F O IC50 = 2.0 nM 549.43 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CC3COCC3C2)CC1 Homo sapiens CHEMBL4309849 subcellular format
CHEMBL2159805 OBDepict Cl N N N O N N IC50 = 2.0 nM 355.83 O=C(N1CCN(Cc2cccc(Cl)c2)CC1)n1nnc2ccccc21 Homo sapiens CHEMBL2161050 single protein format
CHEMBL4437377 OBDepict O N O F F F F F F N N F F F H HO IC50 = 2.0 nM 523.4 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CC[C@@H](O)C2)CC1 Homo sapiens CHEMBL4309849 subcellular format
CHEMBL4096459 OBDepict O N O F F F F F F N N IC50 = 2.0 nM 421.34 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(c2ccn(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL4032630 single protein format
CHEMBL4205134 OBDepict Cl N O N N O N S IC50 = 2.2 nM 466.99 O=C(c1nccs1)N1CCN(C2CC(=O)N(c3cccc(-c4cccc(Cl)c4)c3)C2)CC1 Homo sapiens CHEMBL4202162 assay format
CHEMBL4860900 OBDepict O O NH H N O O CH 3 Cl F IC50 = 2.7 nM 410.87 CC(Oc1ccc(F)cc1Cl)C1CCN(C(=O)[C@H]2C[C@]3(COC(=O)N3)C2)CC1 Homo sapiens CHEMBL4810578 single protein format
CHEMBL4854370 OBDepict O O N H H N O H 3 C O Cl F IC50 = 2.7 nM 410.87 CC1(COc2ccc(F)cc2Cl)CCN(C(=O)[C@H]2C[C@]3(COC(=O)N3)C2)CC1 Homo sapiens CHEMBL4810578 single protein format
CHEMBL4872007 OBDepict CH 3 O N Cl O F H N H O O IC50 = 2.8 nM 424.9 CCC(Oc1ccc(F)cc1Cl)C1CCN(C(=O)[C@H]2C[C@]3(COC(=O)N3)C2)CC1 Homo sapiens CHEMBL4810578 single protein format
CHEMBL2159800 OBDepict O N N N N IC50 = 3.0 nM 320.4 O=C(N1CCC(Cc2ccccc2)CC1)n1nnc2ccccc21 Homo sapiens CHEMBL2161050 single protein format
CHEMBL2159780 OBDepict O N N N N N IC50 = 3.0 nM 371.44 O=C(N1CCN(Cc2cccc3ccccc23)CC1)n1nnc2ccccc21 Homo sapiens CHEMBL2161050 single protein format
CHEMBL4079080 OBDepict OH O H F F F N O H H H N N F IC50 = 3.0 nM 399.34 O=C(O[C@H](CO)C(F)(F)F)N1C[C@H]2[C@@H](C1)[C@@H]2c1ccn(-c2ccc(F)cc2)n1 Homo sapiens CHEMBL4037966 single protein format
CHEMBL4472033 OBDepict N N O N O IC50 = 3.0 nM 397.48 N#Cc1ccnc(OC(=O)N2CCC(C(c3ccccc3)c3ccccc3)CC2)c1 Homo sapiens CHEMBL4383895 cell-based format
CHEMBL3910417 OBDepict O N O F F F F F F N N N IC50 = 3.0 nM 448.37 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(C(c2cccnc2)c2cccnc2)CC1 Homo sapiens CHEMBL4309849 subcellular format
CHEMBL4078417 OBDepict CH N N N O O F F F F F F IC50 = 3.0 nM 417.31 C#Cc1ccc(-n2ccc(C3CN(C(=O)OC(C(F)(F)F)C(F)(F)F)C3)n2)cc1 Homo sapiens CHEMBL4032641 cell-based format
CHEMBL4081625 OBDepict O N O F F F F F F N N N N IC50 = 3.2 nM 413.32 O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(N2CCN(c3ncccn3)CC2)C1 Homo sapiens CHEMBL4032630 single protein format
CHEMBL4868762 OBDepict O O N H H N O O Cl F F F IC50 = 3.2 nM 418.8 O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(OCc3ccc(C(F)(F)F)c(Cl)c3)C1)C2 Homo sapiens CHEMBL4810578 single protein format
CHEMBL4870918 OBDepict O O N H H N O O Cl F IC50 = 3.4 nM 396.85 O=C1N[C@]2(CO1)C[C@H](C(=O)N1CCC(COc3ccc(F)cc3Cl)CC1)C2 Homo sapiens CHEMBL4810578 single protein format
CHEMBL3968032 OBDepict O N O F F F F F F N N Cl O IC50 = 3.5 nM 489.84 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2cccc(Cl)c2N2CCOCC2)CC1 Homo sapiens CHEMBL4309849 subcellular format
CHEMBL4213030 OBDepict F N O CH 3 N H N N N N IC50 = 3.6 nM 432.5 Cc1ncccc1-c1cc(F)cc(N2C[C@H](N3CCN(c4ncccn4)CC3)CC2=O)c1 Homo sapiens CHEMBL4202162 assay format
CHEMBL4861633 OBDepict O O N H H N O O F F F F F F IC50 = 3.8 nM 452.35 O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(OCc3ccc(C(F)(F)F)c(C(F)(F)F)c3)C1)C2 Homo sapiens CHEMBL4810578 single protein format
CHEMBL2159776 OBDepict O N N N N N N IC50 = 4.0 nM 398.47 O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2ncccc21 Homo sapiens CHEMBL2160979 single protein format
CHEMBL4450649 OBDepict O N O F F F F F F N N F F F O IC50 = 4.0 nM 577.49 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCC3(CCOCC3)C2)CC1 Homo sapiens CHEMBL4309849 subcellular format
CHEMBL4468639 OBDepict F N N Cl N N O O F F F F F F IC50 = 4.0 nM 534.9 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(Cl)cc2N2CCN(CCF)CC2)CC1 Homo sapiens CHEMBL4309849 subcellular format
CHEMBL4866307 OBDepict O O N H H N O O Cl F F F IC50 = 4.1 nM 418.8 O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(OCc3ccc(Cl)c(C(F)(F)F)c3)C1)C2 Homo sapiens CHEMBL4810578 single protein format
CHEMBL4871941 OBDepict O O N H H N O O F F F Cl F IC50 = 4.2 nM 464.84 O=C1N[C@]2(CO1)C[C@H](C(=O)N1CCC(C(Oc3ccc(F)cc3Cl)C(F)(F)F)CC1)C2 Homo sapiens CHEMBL4810578 single protein format
CHEMBL4847556 OBDepict O O N H H N O O Cl Cl IC50 = 4.4 nM 385.25 O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(OCc3ccc(Cl)c(Cl)c3)C1)C2 Homo sapiens CHEMBL4810578 single protein format
CHEMBL3785379 OBDepict F H O N H O N O N O N N IC50 = 4.6 nM 463.47 O=C1[C@H](c2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)N1C1CCN(C(=O)n2cncn2)CC1 Homo sapiens CHEMBL3791725 assay format
CHEMBL3894067 OBDepict O N O F F F F F F N N N H 3 C Cl IC50 = 5.0 nM 484.83 Cn1cc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(-c2ccccc2Cl)n1 Homo sapiens CHEMBL4309849 subcellular format
CHEMBL4642170 OBDepict F N N O N N O N S IC50 < 5.0 nM 489.58 O=C(c1ccc2c(ccn2-c2ccc(F)cc2)c1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1 Homo sapiens CHEMBL4624566 single protein format
CHEMBL4210423 OBDepict F N O CH 3 N N N N N IC50 = 5.0 nM 432.5 Cc1ncccc1-c1cc(F)cc(N2CC(N3CCN(c4ncccn4)CC3)CC2=O)c1 Homo sapiens CHEMBL4202162 assay format
CHEMBL4639181 OBDepict O N N N N O N F F F S IC50 < 5.0 nM 539.58 O=C(c1ccc2c(ccn2-c2ccc(C(F)(F)F)cc2)c1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1 Homo sapiens CHEMBL4624566 single protein format
CHEMBL4644928 OBDepict O N S Cl N F F F N O N S IC50 < 5.0 nM 514.98 O=C(c1nccs1)N1CCN(C2CN(C(=O)c3sc4cc(C(F)(F)F)ccc4c3Cl)C2)CC1 Homo sapiens CHEMBL4624566 single protein format
CHEMBL4648058 OBDepict O N N N N N O N S IC50 < 5.0 nM 472.57 O=C(c1ccc2c(cnn2-c2ccccc2)c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1 Homo sapiens CHEMBL4624566 single protein format
CHEMBL4633328 OBDepict O N N N N O N S F F F IC50 < 5.0 nM 539.58 O=C(c1ccc2c(ccn2-c2ccc(C(F)(F)F)cc2)c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1 Homo sapiens CHEMBL4624566 single protein format
CHEMBL4648874 OBDepict O N S Cl N F F F N O IC50 < 5.0 nM 507.96 O=C(c1ccccc1)N1CCN(C2CN(C(=O)c3sc4cc(C(F)(F)F)ccc4c3Cl)C2)CC1 Homo sapiens CHEMBL4624566 single protein format
CHEMBL4845748 OBDepict O O N H H N O O H 3 C F F F IC50 = 5.4 nM 398.38 Cc1cc(COC2CN(C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)C2)ccc1C(F)(F)F Homo sapiens CHEMBL4810578 single protein format
CHEMBL4865443 OBDepict O O N H H N O O Cl F F F IC50 = 5.4 nM 418.8 O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(OCc3ccc(C(F)(F)F)cc3Cl)C1)C2 Homo sapiens CHEMBL4810578 single protein format
CHEMBL3356975 OBDepict O N N N N N N O IC50 = 5.5 nM 414.47 O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1nnc2cccnc21 Homo sapiens CHEMBL3384490 cell-based format
CHEMBL4867862 OBDepict Cl S O N O HO IC50 = 5.7 nM 451.98 O=C(c1ccc(Sc2cccc(Cl)c2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1 Homo sapiens CHEMBL4832170 single protein format
CHEMBL3901007 OBDepict O N O F F F F F F HO O O O O IC50 = 5.9 nM 549.42 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1 Homo sapiens CHEMBL4177820 cell-based format
CHEMBL4469632 OBDepict O N O F F F F F F N N N N N CH 3 H 3 C IC50 = 6.0 nM 554.5 Cn1ncc2cc(C(c3ccc4c(cnn4C)c3)N3CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC3)ccc21 Homo sapiens CHEMBL4309849 subcellular format
CHEMBL2376220 OBDepict Cl O N N N N N O H 3 C CH 3 IC50 = 6.0 nM 343.77 CN(C)C(=O)n1nnc(-c2ccc(Oc3cccc(Cl)c3)cc2)n1 Homo sapiens CHEMBL2379576 single protein format
CHEMBL485841 OBDepict H 3 C N CH 3 N O N N N IC50 = 6.0 nM 307.36 CN(C)C(=O)n1nnc(Cc2ccc(-c3ccccc3)cc2)n1 Homo sapiens CHEMBL2379576 single protein format
CHEMBL4097100 OBDepict OH O F F F N O H H H N N F IC50 = 6.0 nM 399.34 O=C(OC(CO)C(F)(F)F)N1C[C@H]2[C@@H](C1)[C@@H]2c1ccn(-c2ccc(F)cc2)n1 Homo sapiens CHEMBL4037966 single protein format
CHEMBL576786 OBDepict O N O HO O O O O + N O _ O IC50 = 6.0 nM 520.49 O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1 Homo sapiens CHEMBL1045637 single protein format
CHEMBL4873898 OBDepict O O N H H N O O Cl CH 3 IC50 = 6.2 nM 364.83 Cc1ccc(COC2CN(C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)C2)cc1Cl Homo sapiens CHEMBL4810578 single protein format
CHEMBL4875176 OBDepict OH N O O S O F F F IC50 = 6.2 nM 501.53 O=C(c1ccc(Sc2cccc(OC(F)(F)F)c2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1 Homo sapiens CHEMBL4832170 single protein format
CHEMBL4854074 OBDepict O O N H H N O O CH 3 F F F IC50 = 6.3 nM 398.38 Cc1ccc(COC2CN(C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)C2)cc1C(F)(F)F Homo sapiens CHEMBL4810578 single protein format
CHEMBL4846513 OBDepict O NH H N O O Cl F IC50 = 6.5 nM 394.87 O=C1CC[C@]2(C[C@H](C(=O)N3CCC(COc4ccc(F)cc4Cl)CC3)C2)N1 Homo sapiens CHEMBL4810578 single protein format
CHEMBL4205550 OBDepict F N O CH 3 N N N O N S IC50 = 6.5 nM 465.55 Cc1ncccc1-c1cc(F)cc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1 Homo sapiens CHEMBL4202162 assay format
CHEMBL4778803 OBDepict O N H HN Cl N S F IC50 = 6.5 nM 411.89 O=C(CNc1ccc(F)c(Cl)c1)Nc1ccc(-c2nc3ccccc3s2)cc1 Homo sapiens CHEMBL4765587 single protein format
CHEMBL4871787 OBDepict OH N O O S F F F IC50 = 6.9 nM 485.53 O=C(c1ccc(Sc2cccc(C(F)(F)F)c2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1 Homo sapiens CHEMBL4832170 single protein format
CHEMBL3959117 OBDepict O N O CH 3 F F F F F F N IC50 = 6.9 nM 392.3 CN(Cc1cccc(-c2ccncc2)c1)C(=O)OC(C(F)(F)F)C(F)(F)F Homo sapiens CHEMBL4177820 cell-based format
CHEMBL2159812 OBDepict O NH N N N O N N IC50 = 7.0 nM 440.51 O=C(Nc1ccccc1)c1cccc(CN2CCN(C(=O)n3nnc4ccccc43)CC2)c1 Homo sapiens CHEMBL2161050 single protein format
CHEMBL4862009 OBDepict O O N H H N O O Cl Cl IC50 = 7.0 nM 385.25 O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC(OCc3ccc(Cl)cc3Cl)C1)C2 Homo sapiens CHEMBL4810578 single protein format
CHEMBL4856861 OBDepict O O N H H N O O H 3 C Cl IC50 = 7.1 nM 364.83 Cc1cc(COC2CN(C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)C2)ccc1Cl Homo sapiens CHEMBL4810578 single protein format
CHEMBL3356974 OBDepict O N N N N N O IC50 = 7.8 nM 413.48 O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1nnc2ccccc21 Homo sapiens CHEMBL3384490 cell-based format
CHEMBL4793668 OBDepict O N H HN N S F IC50 = 8.0 nM 377.44 O=C(CNc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 Homo sapiens CHEMBL4765587 single protein format
CHEMBL4788586 OBDepict O N H N H Cl Cl N S IC50 = 8.0 nM 428.34 O=C(CNc1c(Cl)cccc1Cl)Nc1ccc(-c2nc3ccccc3s2)cc1 Homo sapiens CHEMBL4765587 single protein format
CHEMBL2159798 OBDepict O N N N N N IC50 = 8.0 nM 321.38 O=C(N1CCN(Cc2ccccc2)CC1)n1nnc2ccccc21 Homo sapiens CHEMBL2161050 single protein format
CHEMBL2159806 OBDepict O N N N N N + N O _ O IC50 = 8.0 nM 366.38 O=C(N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)n1nnc2ccccc21 Homo sapiens CHEMBL2161050 single protein format