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P32418 | NAC1_HUMAN | Sodium/calcium exchanger 1 (SLC8A1)

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
CHEMBL3662020 OBDepict O N H S N O O P O OH HO O H H 3 C IC50 = 70.0 nM 490.47 Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCOP(=O)(O)O)s3)ccc2O1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662028 OBDepict O N H N S O O N O H IC50 = 92.0 nM 433.49 O=C(NCc1ccno1)c1csc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)n1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662043 OBDepict NH 2 S N O O IC50 = 100.0 nM 338.43 NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705520 cell-based format
CHEMBL3657709 OBDepict O N H S CH 3 N O N O IC50 = 100.0 nM 457.56 Cc1nc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)sc1C(=O)NCc1ccncc1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661925 OBDepict CH 3 O O N H S N O O H IC50 = 100.0 nM 410.5 COC(=O)CNCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661894 OBDepict H O O N S N H O N IC50 = 100.0 nM 419.51 c1ccc([C@@H]2CCc3cc(Oc4ncc(CNCc5ccno5)s4)ccc3O2)cc1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661888 OBDepict OH NH O S N O O H IC50 = 100.0 nM 396.47 O=C(NCCO)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657696 OBDepict O HN N S N O O F IC50 = 100.0 nM 475.55 O=C(Cc1cccnc1)NCc1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657698 OBDepict O S HN O N S N O O IC50 = 100.0 nM 479.58 O=S(=O)(NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)c1cccnc1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657699 OBDepict O N H O N S N O O IC50 = 100.0 nM 433.49 O=C(NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)c1ccno1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661988 OBDepict HO N O S HO N O O IC50 = 100.0 nM 440.52 O=C(c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)N(CCO)CCO Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657672 OBDepict H 3 C N N NH O S N O O IC50 = 100.0 nM 458.54 Cc1nccc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)n1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657675 OBDepict O N H S N O O N O IC50 = 100.0 nM 433.49 O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661993 OBDepict H 3 C H 3 C NH O S N O O IC50 = 100.0 nM 408.52 CC(C)CNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657670 OBDepict O NH N S N O O IC50 = 100.0 nM 457.56 O=C(Cc1ccccn1)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657667 OBDepict O NH N S N O O IC50 = 100.0 nM 457.56 O=C(Cc1cccnc1)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657666 OBDepict O N H N S N O O IC50 = 100.0 nM 443.53 O=C(NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)c1cccnc1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661990 OBDepict O N S N O O O IC50 = 100.0 nM 422.51 O=C(c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)N1CCOCC1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662001 OBDepict OH HN O S N O O H H 3 C IC50 = 100.0 nM 410.5 Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661992 OBDepict H 3 C NH O S N O O IC50 = 100.0 nM 408.52 CCCCNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661987 OBDepict HO N H S N O O IC50 = 100.0 nM 382.49 OCCNCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657700 OBDepict F O O N S N H O O N IC50 = 100.0 nM 451.48 O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657801 OBDepict O O N S N H O N IC50 = 100.0 nM 419.51 c1ccc(C2CCc3cc(Oc4ncc(CNCc5ccno5)s4)ccc3O2)cc1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657680 OBDepict O N H S N O N N H 3 C CH 3 O IC50 = 100.0 nM 486.6 CN(C)c1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)ccn1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661945 OBDepict HO N H S N O O H IC50 = 100.0 nM 382.49 OCCNCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661858 OBDepict O N H S N O O N O H IC50 = 100.0 nM 433.49 O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657710 OBDepict O N H S N O N O S IC50 = 100.0 nM 449.56 O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CCC(c2ccsc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657687 OBDepict O N H S N O N O H IC50 = 100.0 nM 443.53 O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662026 OBDepict CH 3 NH O N S O O H IC50 = 110.0 nM 394.5 CCCNC(=O)c1csc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)n1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662025 OBDepict OH NH O N S O O H IC50 = 120.0 nM 396.47 O=C(NCCO)c1csc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)n1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662029 OBDepict H 3 C HO NH O S N O O IC50 = 160.0 nM 410.5 CC(O)CNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662021 OBDepict O N H N S N O O IC50 = 170.0 nM 449.58 O=C(CN1CCCC1)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662041 OBDepict CH 3 O F O O N S N H O O N IC50 = 180.0 nM 481.51 COc1c(F)cccc1C1CCc2cc(Oc3ncc(C(=O)NCc4ccno4)s3)ccc2O1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657727 OBDepict O N H N S N O O IC50 = 200.0 nM 443.53 O=C(NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)c1ccncc1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657707 OBDepict F O O N S N H O N N H 3 C IC50 = 200.0 nM 476.53 Cc1nccc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3cccc(F)c3)O4)s2)n1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661867 OBDepict H 3 C O O NH O S N O O H IC50 = 200.0 nM 424.48 COC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3639565 OBDepict O N H Cl N S N O O IC50 = 200.0 nM 477.97 O=C(NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)c1ccncc1Cl Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661866 OBDepict CH 3 O O HN CH 3 H O S N O O H IC50 = 200.0 nM 452.53 CCOC(=O)[C@H](C)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657705 OBDepict O N H S N H 3 C H O N S O IC50 = 200.0 nM 463.58 C[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)c1nccs1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657783 OBDepict CH 3 O N N H S N O O IC50 = 200.0 nM 433.53 Cc1cc(CNCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)no1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657754 OBDepict NH S N O O IC50 = 200.0 nM 392.52 c1ccc(C2CCc3cc(Oc4ncc(CNC5CCC5)s4)ccc3O2)cc1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661855 OBDepict O N H S CH 3 N O O N O H IC50 = 200.0 nM 447.52 Cc1nc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)sc1C(=O)NCc1ccno1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657758 OBDepict CH 3 O N H S N O O IC50 = 200.0 nM 396.51 COCCNCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657714 OBDepict O N H CH 3 N H 3 C O S N O O IC50 = 200.0 nM 461.54 Cc1noc(C)c1C(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657802 OBDepict CH 3 N O N H S N O O IC50 = 200.0 nM 433.53 Cc1cc(CNCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)on1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657799 OBDepict N N NH S N O O IC50 = 200.0 nM 454.56 N#Cc1ccc(CNCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)cn1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657789 OBDepict H 3 C N N N H S N O O IC50 = 200.0 nM 432.55 Cn1nccc1CNCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657760 OBDepict NH 2 H 3 C S N O O IC50 = 200.0 nM 380.51 CC(CN)Cc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657777 OBDepict O O N S N H N IC50 = 200.0 nM 429.55 c1ccc(C2CCc3cc(Oc4ncc(CNCc5ccncc5)s4)ccc3O2)cc1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657752 OBDepict F F F NH S N O O IC50 = 200.0 nM 420.46 FC(F)(F)CNCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3639607 OBDepict OH NH H HO CH 3 H O S N O O H IC50 = 200.0 nM 440.52 C[C@H](O)[C@H](CO)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657688 OBDepict O N H S N O N O H IC50 = 200.0 nM 443.53 O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657701 OBDepict CH 3 N N S NH O O S N O O IC50 = 200.0 nM 482.59 Cn1cnc(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)c1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662024 OBDepict F CH 3 O O N S N H O N O NH IC50 = 200.0 nM 496.56 Cc1ccc(F)cc1C1CCc2cc(Oc3ncc(C(=O)NCCN4CCNC4=O)s3)ccc2O1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662000 OBDepict OH HN O S N O O H H 3 C IC50 = 200.0 nM 410.5 Cc1ccccc1[C@H]1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657663 OBDepict F O O N S N H O N H 2 N IC50 = 200.0 nM 476.53 Nc1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3cccc(F)c3)O4)s2)ccn1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657668 OBDepict F O O N S N H O N N N IC50 = 200.0 nM 501.54 O=C(NCc1nnc2ccccn12)c1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657669 OBDepict F O O N S N H O N IC50 = 200.0 nM 461.52 O=C(NCc1ccncc1)c1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657671 OBDepict F O O N S N H O N N N IC50 = 200.0 nM 491.55 O=C(NCc1nnc2n1CCC2)c1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3639608 OBDepict CH 3 O O NH O S N O O IC50 = 200.0 nM 438.51 CCOC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661984 OBDepict H 3 C O CH 3 O NH O S N O O IC50 = 200.0 nM 452.53 CC(C)OC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657702 OBDepict F O O N S N H O N CH 3 N CH 3 IC50 = 200.0 nM 478.55 Cc1c(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3cccc(F)c3)O4)s2)cnn1C Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657679 OBDepict O N H S N O N N O O IC50 = 200.0 nM 528.63 O=C(NCc1ccnc(N2CCOCC2)c1)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661977 OBDepict O N S N O H HO O H 3 C IC50 = 200.0 nM 436.53 Cc1ccccc1C1CCc2cc(Oc3ncc(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661962 OBDepict O N H S N O H H 2 N O H IC50 = 200.0 nM 407.5 N[C@H]1CC1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657684 OBDepict CH 3 N H 3 C N NH O S N O O IC50 = 200.0 nM 472.57 Cc1cc(C)nc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)n1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657685 OBDepict O N H S N O H 3 C N CH 3 O O IC50 = 200.0 nM 475.57 Cc1noc(C)c1CCNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661938 OBDepict HO N S HO N O O H IC50 = 200.0 nM 426.54 OCCN(CCO)Cc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657748 OBDepict O O N S N H IC50 = 200.0 nM 378.5 c1ccc(C2CCc3cc(Oc4ncc(CNC5CC5)s4)ccc3O2)cc1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661900 OBDepict F F O O N S N H O O N IC50 = 200.0 nM 469.47 O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CCC(c2cc(F)ccc2F)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657693 OBDepict OH N N H O S N O O IC50 = 200.0 nM 459.53 O=C(NCc1ccnc(O)c1)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657695 OBDepict F O O N S N H O N IC50 = 200.0 nM 461.52 O=C(NCc1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1)c1cccnc1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657697 OBDepict O HN S N N O O F IC50 = 200.0 nM 475.55 O=C(Cc1ccncc1)NCc1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661971 OBDepict H 3 C O O NH O S N O O IC50 = 200.0 nM 424.48 COC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657735 OBDepict O N H N N S N O O IC50 = 200.0 nM 444.52 O=C(NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)c1ccncn1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662027 OBDepict O NH N N H O N S O O H IC50 = 210.0 nM 464.55 O=C(NCCN1CCNC1=O)c1csc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)n1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662030 OBDepict HO NH O S N O O IC50 = 250.0 nM 436.53 O=C(NC1CCCC1O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662042 OBDepict OH HN O S N O O O H 3 C F IC50 = 270.0 nM 444.48 COc1c(F)cccc1C1CCc2cc(Oc3ncc(C(=O)NCCO)s3)ccc2O1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657732 OBDepict O N H N H 3 C N S N O O IC50 = 300.0 nM 446.53 Cn1nccc1C(=O)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661890 OBDepict HO N H O S N O O H IC50 = 300.0 nM 450.56 O=C(NC(CCO)C1CC1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661889 OBDepict OH H N O S N O O H IC50 = 300.0 nM 436.53 O=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N1CCC[C@H]1CO Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657694 OBDepict O NH S N N O O IC50 = 300.0 nM 457.56 O=C(Cc1ccncc1)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661887 OBDepict HO NH H O S N O O H IC50 = 300.0 nM 472.57 O=C(N[C@H](CO)c1ccccc1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657664 OBDepict F O O N S N H O H 3 C N IC50 = 300.0 nM 475.55 CC(NC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2cccc(F)c2)O3)s1)c1ccncc1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661907 OBDepict CH 3 O O N H 3 C O S N O O H IC50 = 300.0 nM 478.57 COC(=O)C1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1C Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657689 OBDepict O N H S N O H 3 C N H 3 C O O IC50 = 300.0 nM 489.6 Cc1noc(C)c1CCCNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661935 OBDepict O N H S N O N H O H IC50 = 300.0 nM 433.53 O=C(NC1C2CNCC21)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661936 OBDepict O N H S N H O H H 2 N O H IC50 = 300.0 nM 407.5 N[C@H]1C[C@@H]1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661967 OBDepict H 2 N NH O S N O O H IC50 = 300.0 nM 409.51 NCCCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661970 OBDepict H 2 N N O S N O O H IC50 = 300.0 nM 421.52 NC1CCN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657681 OBDepict O N H S N O F F F N O IC50 = 300.0 nM 511.53 O=C(NCc1ccncc1)c1sc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)nc1C(F)(F)F Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661864 OBDepict O N H S Cl N O N O IC50 = 300.0 nM 477.97 O=C(NCc1ccncc1)c1sc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)nc1Cl Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3661918 OBDepict CH 3 H 3 C O HO NH O S N O O H IC50 = 300.0 nM 480.59 CC(C)CC(CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(=O)O Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657721 OBDepict CH 3 N N N H O S N O O IC50 = 300.0 nM 460.56 CCn1cc(C(=O)NCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)cn1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657690 OBDepict Cl N N H O S N O O IC50 = 300.0 nM 477.97 O=C(NCc1ccnc(Cl)c1)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657726 OBDepict H 3 C N O CH 3 HN O S N O O IC50 = 300.0 nM 461.54 Cc1nc(C)c(C(=O)NCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)o1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657764 OBDepict O O N S HN IC50 = 300.0 nM 392.52 c1ccc(C2CCc3cc(Oc4ncc(CNCC5CC5)s4)ccc3O2)cc1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657757 OBDepict CH 3 NH H 3 C S N O O IC50 = 300.0 nM 380.51 CC(C)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3662005 OBDepict CH 3 NH O S N O O CH 3 IC50 = 300.0 nM 408.52 CCCNC(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2C)O3)s1 Homo sapiens CHEMBL3705519 cell-based format
CHEMBL3657723 OBDepict O N H N N S CH 3 N O O IC50 = 300.0 nM 460.56 Cc1ccn(CC(=O)NCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)n1 Homo sapiens CHEMBL3705519 cell-based format