HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q9NY59 | NSMA2_HUMAN | Sphingomyelin phosphodiesterase 3 (SMPD3)

3D structures mapped by conservation among orthologs

[ Domain: "DNase I-like" // Exo_endo_phos ]

download pymol session



[ 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
CHEMBL4471834 OBDepict CH 3 O OH O N N H CH 3 S IC50 = 10.0 nM 406.51 CCOc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc(OCC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4449307 OBDepict CH 3 O OH O N N CH 3 H H 3 C S IC50 = 20.0 nM 316.38 COc1cc(-c2nc(-c3cccs3)c(C)[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4551018 OBDepict CH 3 O OH O N N CH 3 H H 3 C IC50 = 20.0 nM 310.35 COc1cc(-c2nc(C)c(-c3ccccc3)[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4467223 OBDepict CH 3 O N N H O O O CH 3 H 3 C HO H 3 C IC50 = 20.0 nM 432.48 COc1ccc(-c2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2-c2ccc(OC)cc2)cc1 Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4449305 OBDepict CH 3 O OH O N N CH 3 H S S IC50 = 20.0 nM 384.48 COc1cc(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL587104 OBDepict CH 3 O OH O N N CH 3 H IC50 = 20.0 nM 372.42 COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL1342201 OBDepict CH 3 O OH O N N CH 3 H S IC50 = 30.0 nM 378.45 COc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4458407 OBDepict CH 3 O OH O N N CH 3 H O O IC50 = 40.0 nM 352.35 COc1cc(-c2nc(-c3ccco3)c(-c3ccco3)[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4565746 OBDepict CH 3 O CH 3 OH O N N H CH 3 CH 3 S IC50 = 40.0 nM 434.56 CC(C)Oc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc(OC(C)C)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4468906 OBDepict CH 3 N CH 3 N H O O H 3 C HO H 3 C IC50 = 60.0 nM 290.36 CCCCc1[nH]c(-c2cc(OC)c(O)c(OC)c2)nc1C Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4533205 OBDepict OH O O F F F N N F F F H S IC50 = 70.0 nM 514.45 Oc1c(OCC(F)(F)F)cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1OCC(F)(F)F Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4647644 OBDepict H 3 C O O H 3 C N H 3 C N N CH 3 N IC50 = 70.0 nM 352.44 COc1ccc(-c2c(C)nc3c(N4CCCC4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4471548 OBDepict CH 3 O OH O N N CH 3 H CH 3 H 3 C IC50 = 70.0 nM 338.41 COc1cc(-c2nc(-c3ccccc3)c(C(C)C)[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4577390 OBDepict CH 3 O OH O N N CH 3 H IC50 = 70.0 nM 296.33 COc1cc(-c2ncc(-c3ccccc3)[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4588691 OBDepict CH 3 O OH O N N CH 3 H H 3 C H 3 C IC50 = 70.0 nM 400.48 COc1cc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4514045 OBDepict CH 3 O OH O N N CH 3 H H 3 C CH 3 H 3 C H 3 C IC50 = 90.0 nM 304.39 COc1cc(-c2nc(C(C)C)c(C(C)C)[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4634085 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H S O O CH 3 IC50 = 90.0 nM 521.64 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)c5ccc(C)cc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4643888 OBDepict H 3 C HN O H N N N CH 3 N H 3 C O O H 3 C H 3 C IC50 = 100.0 nM 465.6 CCCCCC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc(OC)c(OC)c4)c(C)nc23)C1 Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4635273 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H S O O S IC50 = 100.0 nM 513.65 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)c5cccs5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4635335 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H O F F IC50 = 100.0 nM 521.57 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)C(F)(F)c5ccccc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4644091 OBDepict H 3 C O O H 3 C N H 3 C N N CH 3 N H N H S O O IC50 = 100.0 nM 471.58 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)C5CC5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4573101 OBDepict CH 3 N N H CH 3 O O H 3 C HO CH 3 IC50 = 120.0 nM 276.34 CCc1nc(-c2cc(OC)c(O)c(OC)c2)[nH]c1CC Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4540577 OBDepict OH O O N N H S IC50 = 120.0 nM 486.64 Oc1c(OC2CCCC2)cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1OC1CCCC1 Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4436316 OBDepict CH 3 O OH O N N CH 3 H H 3 C IC50 = 130.0 nM 310.35 COc1cc(-c2nc(-c3ccc(C)cc3)c[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4632415 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H S O O F F F IC50 = 200.0 nM 575.61 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)c5ccc(C(F)(F)F)cc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4640034 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H S O O O H 3 C IC50 = 200.0 nM 549.65 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)c5ccc(C(C)=O)cc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4648184 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H O O CH 3 IC50 = 200.0 nM 501.59 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)Oc5cccc(C)c5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4648675 OBDepict CH 3 S N CH 3 N N CH 3 N H N H O H 3 C IC50 = 200.0 nM 395.53 CSc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1 Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4632713 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H NH O IC50 = 200.0 nM 486.58 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)Nc5ccccc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4633254 OBDepict H 3 C O O H 3 C N H 3 C N N CH 3 N H N H O O IC50 = 200.0 nM 501.59 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)COc5ccccc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4644595 OBDepict N S N H O O H N N N CH 3 N H 3 C O O H 3 C CH 3 IC50 = 200.0 nM 532.63 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)c5ccc(C#N)cc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4632464 OBDepict H 3 C N H O H N N N CH 3 N H 3 C O F F F IC50 = 200.0 nM 433.43 CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc(OC(F)(F)F)cc4)c(C)nc23)C1 Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4441694 OBDepict CH 3 O OH O N N CH 3 H H 3 C IC50 = 220.0 nM 234.25 COc1cc(-c2ncc(C)[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4647717 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H O O IC50 = 300.0 nM 487.56 COc1ccc(-c2c(C)nc3c(N4CC[C@H](NC(=O)Oc5ccccc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4645128 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H O O IC50 = 300.0 nM 537.62 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)Oc5ccc6ccccc6c5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4646637 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H O O IC50 = 300.0 nM 493.61 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)OC5CCCCC5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4639494 OBDepict H 3 C O O H 3 C N H 3 C N N CH 3 N H N H O O IC50 = 300.0 nM 501.59 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)OCc5ccccc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4644815 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H S O O CH 3 H 3 C IC50 = 300.0 nM 473.6 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)C(C)C)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4647138 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H O O IC50 = 300.0 nM 487.56 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)Oc5ccccc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4649470 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H S O O NH 2 IC50 = 300.0 nM 446.53 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(N)(=O)=O)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4639393 OBDepict CH 3 O O CH 3 N CH 3 N N CH 3 N H N N N IC50 = 300.0 nM 495.59 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](n5cc(-c6ccccc6)nn5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4648122 OBDepict CH 3 O O CH 3 N CH 3 N N CH 3 N H S O H 3 C IC50 = 300.0 nM 426.54 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](SC(C)=O)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4643164 OBDepict H 3 C N H O H N N N CH 3 N H 3 C S IC50 = 300.0 nM 355.47 CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccs4)c(C)nc23)C1 Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4556374 OBDepict CH 3 O OH N N H S IC50 = 320.0 nM 348.43 COc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)ccc1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4646175 OBDepict CH 3 O O CH 3 N CH 3 N N CH 3 N H O O H 3 C IC50 = 400.0 nM 410.47 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](OC(C)=O)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4647259 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H S O O Cl IC50 = 400.0 nM 542.06 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)c5ccc(Cl)cc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4636705 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H O IC50 = 400.0 nM 485.59 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)Cc5ccccc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4645484 OBDepict CH 3 O H N H O H N N N H 3 C N CH 3 O O CH 3 CH 3 IC50 = 400.0 nM 515.61 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)[C@@H](OC)c5ccccc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4476341 OBDepict CH 3 O OH O N N CH 3 H IC50 = 420.0 nM 220.23 COc1cc(-c2ncc[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4585573 OBDepict H 3 C O OH O N N CH 3 H IC50 = 420.0 nM 274.32 COc1cc(-c2nc3c([nH]2)CCCC3)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4643840 OBDepict CH 3 HN O H N N N CH 3 N H 3 C S N O O H 3 C H 3 C IC50 = 500.0 nM 456.57 CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccc(S(=O)(=O)N(C)C)c4)c(C)nc23)C1 Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4645616 OBDepict CH 3 O O CH 3 N CH 3 N N CH 3 N H HO IC50 = 500.0 nM 368.44 COc1ccc(-c2c(C)nc3c(N4CC[C@H](O)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4640489 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N H S O O IC50 = 500.0 nM 507.62 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(=O)(=O)c5ccccc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4635005 OBDepict CH 3 O N N CH 3 N N CH 3 N H N H O H 3 C IC50 = 500.0 nM 380.45 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cn1 Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4554915 OBDepict CH 3 O OH O N N CH 3 H H 3 C H 3 C IC50 = 520.0 nM 248.28 COc1cc(-c2nc(C)c(C)[nH]2)cc(OC)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4438348 OBDepict OH O O CH 3 CH 3 CH 3 CH 3 CH 3 CH 3 N N H S IC50 = 520.0 nM 462.62 CC(C)(C)Oc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc(OC(C)(C)C)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4440577 OBDepict CH 3 O OH OH N N H S IC50 = 560.0 nM 364.43 COc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc(O)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4640369 OBDepict H 3 C O O H 3 C N H 3 C N N CH 3 N H N H O IC50 = 600.0 nM 471.56 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)c5ccccc5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4634886 OBDepict CH 3 O F N CH 3 N N CH 3 N H N H O H 3 C IC50 = 600.0 nM 397.45 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1F Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4649016 OBDepict CH 3 O O CH 3 N CH 3 N N CH 3 N H HO IC50 = 600.0 nM 368.44 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](O)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4642381 OBDepict CH 3 O O CH 3 N CH 3 N N CH 3 N H F IC50 = 700.0 nM 370.43 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](F)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4646834 OBDepict CH 3 O O CH 3 N CH 3 N N H 3 C N H N O IC50 = 700.0 nM 437.54 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](N5CCOCC5)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4643224 OBDepict _ N + N N H N N N CH 3 N H 3 C O O H 3 C H 3 C IC50 = 700.0 nM 393.45 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](N=[N+]=[N-])C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4648938 OBDepict H 3 C N H O H N N N CH 3 N H 3 C N H IC50 = 700.0 nM 388.48 CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc5cc[nH]c5c4)c(C)nc23)C1 Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4637377 OBDepict H 3 C N H O H N N N CH 3 N H 3 C F F F IC50 = 700.0 nM 417.44 CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccc(C(F)(F)F)cc4)c(C)nc23)C1 Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4639208 OBDepict CH 3 N H O H N N N H 3 C N CH 3 N O IC50 = 800.0 nM 434.54 CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4cccc(N5CCOCC5)c4)c(C)nc23)C1 Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4649186 OBDepict CH 3 O O CH 3 N CH 3 N N CH 3 N H N H NH O CH 3 H 3 C IC50 = 800.0 nM 452.56 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)NC(C)C)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4452820 OBDepict OH OH OH N N H S IC50 = 840.0 nM 350.4 Oc1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc(O)c1O Homo sapiens CHEMBL4385861 cell-based format
CHEMBL4649068 OBDepict H 3 C O O H 3 C N H 3 C N N CH 3 N H N H O F F F IC50 = 900.0 nM 463.46 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)C(F)(F)F)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4637546 OBDepict CH 3 O O CH 3 N CH 3 N N CH 3 N N O O CH 3 H 3 C CH 3 IC50 = 900.0 nM 453.54 COc1ccc(-c2c(C)nc3c(N4CCN(C(=O)OC(C)(C)C)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4633305 OBDepict H 3 C N H O H N N N CH 3 N H 3 C O IC50 = 900.0 nM 339.4 CC(=O)N[C@@H]1CCN(c2cc(C)nn3c(-c4ccco4)c(C)nc23)C1 Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4636748 OBDepict CH 3 O O CH 3 N N N CH 3 N H HN O CH 3 IC50 = 900.0 nM 395.46 COc1ccc(-c2cnc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4639759 OBDepict CH 3 O O CH 3 N CH 3 N N CH 3 N F F IC50 = 1000.0 nM 388.42 COc1ccc(-c2c(C)nc3c(N4CCC(F)(F)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format
CHEMBL4638718 OBDepict CH 3 O O CH 3 N CH 3 N N CH 3 N H N H O H 3 C IC50 = 1000.0 nM 409.49 COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)cc1OC Homo sapiens CHEMBL4615125 cell-based format