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Q9NYA1 | SPHK1_HUMAN | Sphingosine kinase 1 (SPHK1)

3D structures mapped by conservation among orthologs

[ Domain: "Phosphofructokinase N-terminal domain" // DAGK_cat ]

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[ Domain: "NAD kinase beta sandwich domain-like" // KOG1116 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ 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
CHEMBL4066270 OBDepict OH H N O IC50 = 0.7 nM 379.54 OC[C@H]1CCCN1Cc1ccc(COc2cccc(C3CCCCC3)c2)cc1 Homo sapiens CHEMBL4009722 cell-based format
CHEMBL4061789 OBDepict H 3 C O S O O N H OH H OH IC50 = 2.0 nM 467.59 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 Homo sapiens CHEMBL4009721 cell-based format
CHEMBL4090361 OBDepict OH H N O S O O IC50 = 2.4 nM 451.59 O=S(=O)(Cc1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1)c1ccccc1 Homo sapiens CHEMBL4009721 cell-based format
CHEMBL4077280 OBDepict CH 3 O S O O N H OH IC50 = 2.6 nM 451.59 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 Homo sapiens CHEMBL4009721 cell-based format
CHEMBL2409847 OBDepict HO H N H HO N H S N Cl Cl IC50 = 3.0 nM 478.45 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL2409850 OBDepict HO H N H HO N H S N F F F F IC50 = 3.0 nM 495.54 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL4063424 OBDepict H 3 C O S O O N H OH H OH IC50 = 3.9 nM 467.59 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)c1 Homo sapiens CHEMBL4009721 cell-based format
CHEMBL2409849 OBDepict HO H N H HO N H S N F F F F IC50 = 4.0 nM 495.54 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3F)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL3134157 OBDepict OH H N O CH 3 S O O Ki = 4.3 nM 465.62 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 Homo sapiens CHEMBL3380135 cell-based format
CHEMBL3348835 OBDepict OH H N O CH 3 S O O Ki = 4.3 nM 465.62 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)c1 Homo sapiens CHEMBL3292347 cell-based format
CHEMBL4086094 OBDepict HO H N O CH 3 CH 3 IC50 = 4.8 nM 339.48 CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 Homo sapiens CHEMBL4009721 cell-based format
CHEMBL2409848 OBDepict HO H N H HO N H S N F F F F IC50 = 5.0 nM 495.54 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3cccc(C(F)(F)F)c3F)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL2407197 OBDepict OH H N H OH N H S N IC50 = 5.0 nM 467.68 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL2409886 OBDepict OH H N H OH N H S N F F F IC50 = 5.0 nM 477.55 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL4086161 OBDepict OH H N N N CH 3 CH 3 H 3 C IC50 = 7.0 nM 391.56 Cc1nc2ccc(-c3ccc(CN4CCC[C@@H]4CO)cc3)cc2n1CCC(C)C Homo sapiens CHEMBL4009722 cell-based format
CHEMBL2409889 OBDepict OH H N H HO N H S N CH 3 IC50 = 7.0 nM 423.58 Cc1ccc(-c2csc(Nc3ccc(CCN4CC[C@H](O)C[C@@H]4CO)cc3)n2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL3814580 OBDepict CH 3 O N N O H N NH NH 2 ClH Ki = 7.2 nM 415.93 CCCCOc1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc2c1.Cl Homo sapiens CHEMBL4736174 cell-based format
CHEMBL2409888 OBDepict HO H N H HO N H S N Cl IC50 = 8.0 nM 444.0 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL4091588 OBDepict OH H N N N H 3 C IC50 = 8.0 nM 403.57 Cc1nc2ccc(-c3ccc(CN4CCC[C@@H]4CO)cc3)cc2n1CCC1CCC1 Homo sapiens CHEMBL4009722 cell-based format
CHEMBL4783605 OBDepict CH 3 N N N O H N NH H 2 N ClH Ki = 8.0 nM 501.12 CCCCCCCCCCCCn1cc(-c2noc([C@@H]3CCCN3C(=N)N)n2)c2ccccc21.Cl Homo sapiens CHEMBL4736174 cell-based format
CHEMBL4474024 OBDepict HO H N O O F IC50 = 9.0 nM 421.51 OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3cccc(F)c3)c2)cc1 Homo sapiens CHEMBL4392250 cell-based format
CHEMBL2409881 OBDepict HO H N H HO N H S N Cl IC50 = 10.0 nM 444.0 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL2409884 OBDepict OH H N H HO N H S N CH 3 IC50 = 10.0 nM 423.58 Cc1cccc(-c2csc(Nc3ccc(CCN4CC[C@H](O)C[C@@H]4CO)cc3)n2)c1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL1209686 OBDepict CH 3 HN H O H NH H HO N N O IC50 = 10.0 nM 426.56 CC[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(-c2noc(CCC3CCCCC3)n2)cc1 Homo sapiens CHEMBL1211760 single protein format
CHEMBL2407198 OBDepict HO H N H HO N H S N IC50 = 10.0 nM 415.6 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(C3CCCCC3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL4444218 OBDepict OH H N O O S O O IC50 = 11.0 nM 453.56 O=S(=O)(Oc1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1)c1ccccc1 Homo sapiens CHEMBL4392250 cell-based format
CHEMBL4104070 OBDepict OH H N N N H 3 C IC50 = 11.0 nM 403.57 Cc1nc2ccc(-c3ccc(CN4CCC[C@@H]4CO)cc3)cc2n1CC1CCCC1 Homo sapiens CHEMBL4009722 cell-based format
CHEMBL4574678 OBDepict OH H N O O IC50 = 14.0 nM 403.52 OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3)c2)cc1 Homo sapiens CHEMBL4392250 cell-based format
CHEMBL4103414 OBDepict HO N H O H 3 C S O O IC50 = 14.6 nM 425.55 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CNCCO)cc2)c1 Homo sapiens CHEMBL4009721 cell-based format
CHEMBL2409865 OBDepict HO H N H HO N H S N Cl Cl IC50 = 20.0 nM 478.45 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL3763321 OBDepict HO H N H OH N H S N F F F IC50 = 20.0 nM 477.55 OC[C@H]1C[C@H](O)CN1CCCc1ccc(Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 Homo sapiens CHEMBL3767195 single protein format
CHEMBL2409883 OBDepict OH H N H OH N H S N Cl IC50 = 20.0 nM 444.0 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3cccc(Cl)c3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL2409861 OBDepict HO H N H HO N H S N IC50 = 20.0 nM 459.62 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL2409880 OBDepict HO H N H HO N H S N F IC50 = 20.0 nM 427.55 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccccc3F)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL2409891 OBDepict HO H N H HO N H S N F F F IC50 = 20.0 nM 477.55 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL1209685 OBDepict O N H H N H H OH CH 3 H N N O IC50 = 20.0 nM 412.53 C[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(-c2noc(CCC3CCCCC3)n2)cc1 Homo sapiens CHEMBL1211760 single protein format
CHEMBL4104017 OBDepict OH H N O N N O CH 3 IC50 = 25.0 nM 379.46 Cc1nc(-c2cccc(OCc3ccc(CN4CCC[C@@H]4CO)cc3)c2)no1 Homo sapiens CHEMBL4009721 cell-based format
CHEMBL1209544 OBDepict O N H H N H H OH N N O IC50 = 25.0 nM 398.51 O=C(NCc1ccc(-c2noc(CCC3CCCCC3)n2)cc1)[C@H]1NCC[C@@H]1O Homo sapiens CHEMBL1211760 single protein format
CHEMBL4472026 OBDepict OH H N O IC50 = 26.0 nM 401.55 OC[C@H]1CCCN1Cc1ccc(COc2cccc(CCc3ccccc3)c2)cc1 Homo sapiens CHEMBL4392250 cell-based format
CHEMBL3134157 OBDepict OH H N O CH 3 S O O IC50 = 28.0 nM 465.62 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 Homo sapiens CHEMBL3136698 single protein format
CHEMBL4077075 OBDepict CH 3 O S O O N H OH IC50 = 28.0 nM 451.59 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@@H](O)C3)cc2)c1 Homo sapiens CHEMBL4009722 cell-based format
CHEMBL2409870 OBDepict HO H N H OH N H S N Cl Cl IC50 = 30.0 nM 478.45 OC[C@H]1C[C@H](O)CN1CCCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL2409868 OBDepict HO H N H OH N H S N Cl Cl IC50 = 30.0 nM 478.45 OC[C@H]1C[C@@H](O)CN1CCCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL1209615 OBDepict H 3 C O N N NH H CH 3 O H HN H OH IC50 = 30.0 nM 414.55 CCCCCCCc1nc(-c2ccc([C@H](CC)NC(=O)[C@H]3NCC[C@@H]3O)cc2)no1 Homo sapiens CHEMBL1211760 single protein format
CHEMBL2409890 OBDepict OH H N H HO N H S N O H 3 C IC50 = 30.0 nM 439.58 COc1ccc(-c2csc(Nc3ccc(CCN4CC[C@H](O)C[C@@H]4CO)cc3)n2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL4454855 OBDepict HO H N O O Cl IC50 = 39.0 nM 437.97 OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3Cl)c2)cc1 Homo sapiens CHEMBL4392250 cell-based format
CHEMBL3287035 OBDepict CH 3 OH H NH H HO NH H 2 N ClH IC50 = 40.0 nM 378.0 CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(=N)N.Cl Homo sapiens CHEMBL3294302 single protein format
CHEMBL3809146 OBDepict CH 3 N N O NH H 2 N ClH Ki = 40.0 nM 433.04 CCCCCCCCCCCCc1cccc(-c2noc(C3(C(=N)N)CC3)n2)c1.Cl Homo sapiens CHEMBL3811131 cell-based format
CHEMBL4069327 OBDepict OH H N O S O O IC50 = 40.4 nM 415.56 O=S(=O)(Cc1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1)C1CC1 Homo sapiens CHEMBL4009721 cell-based format
CHEMBL4551903 OBDepict HO H N O O F IC50 = 41.0 nM 421.51 OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3F)c2)cc1 Homo sapiens CHEMBL4392250 cell-based format
CHEMBL4455113 OBDepict HO H N O O Cl IC50 = 44.0 nM 437.97 OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3cccc(Cl)c3)c2)cc1 Homo sapiens CHEMBL4392250 cell-based format
CHEMBL1789784 OBDepict O N H HN H 2 N O N Ki = 47.0 nM 470.62 N=C(N)[C@@H]1CCCN1C(=O)c1ccc(-c2nc(-c3cccc(CCC4CCCCC4)c3)co2)cc1 Homo sapiens CHEMBL3767195 single protein format
CHEMBL1774587 OBDepict O N H HN H 2 N O N ClH Ki = 47.0 nM 507.08 Cl.N=C(N)[C@@H]1CCCN1C(=O)c1ccc(-c2nc(-c3cccc(CCC4CCCCC4)c3)co2)cc1 Homo sapiens CHEMBL1777257 cell-based format
CHEMBL1209614 OBDepict H 3 C O N N N H CH 3 H O H N H H OH IC50 = 48.0 nM 400.52 CCCCCCCc1nc(-c2ccc([C@H](C)NC(=O)[C@H]3NCC[C@@H]3O)cc2)no1 Homo sapiens CHEMBL1211760 single protein format
CHEMBL3416846 OBDepict CH 3 N N O H N NH H 2 N ClH Ki = 48.0 nM 420.0 CCCCCCCCc1ccc(-c2noc(C[C@@H]3CCCN3C(=N)N)n2)cc1.Cl Homo sapiens CHEMBL3419997 cell-based format
CHEMBL1209388 OBDepict CH 3 O N N N H O H HN H OH IC50 = 49.0 nM 372.47 CCCCCCc1nc(-c2ccc(CNC(=O)[C@H]3NCC[C@@H]3O)cc2)no1 Homo sapiens CHEMBL1211760 single protein format
CHEMBL2409885 OBDepict OH H N H HO N H S N O CH 3 IC50 = 50.0 nM 439.58 COc1cccc(-c2csc(Nc3ccc(CCN4CC[C@H](O)C[C@@H]4CO)cc3)n2)c1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL583979 OBDepict CH 3 HN O NH 2 H OH IC50 = 50.0 nM 306.45 CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1 Homo sapiens CHEMBL1052796 single protein format
CHEMBL1209687 OBDepict CH 3 HN H O H NH H HO N N O IC50 = 56.0 nM 412.53 CC[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(-c2noc(CCC3CCCC3)n2)cc1 Homo sapiens CHEMBL1211760 single protein format
CHEMBL1209617 OBDepict O N H H N H H OH CH 3 H N N O IC50 = 58.0 nM 398.51 C[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(-c2noc(CCC3CCCC3)n2)cc1 Homo sapiens CHEMBL1211760 single protein format
CHEMBL3416759 OBDepict O N H H N H H OH CH 3 H N N O IC50 = 58.0 nM 398.51 C[C@@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(-c2noc(CCC3CCCC3)n2)cc1 Homo sapiens CHEMBL3419997 cell-based format
CHEMBL552462 OBDepict CH 3 O N H S N NH 2 O O O CH 3 CH 3 IC50 = 60.0 nM 385.45 COc1ccc(Nc2nc(N)c(C(=O)c3ccc(OC)c(OC)c3)s2)cc1 Homo sapiens CHEMBL4669276 cell-based format
CHEMBL1209385 OBDepict CH 3 N N O N H O H HN H OH IC50 = 61.0 nM 386.5 CCCCCCCc1noc(-c2ccc(CNC(=O)[C@H]3NCC[C@@H]3O)cc2)n1 Homo sapiens CHEMBL1211760 single protein format
CHEMBL574238 OBDepict CH 3 N H O H NH H HO IC50 = 62.0 nM 318.46 CCCCCCCCc1ccc(NC(=O)[C@H]2NCC[C@@H]2O)cc1 Homo sapiens CHEMBL1052796 single protein format
CHEMBL1209542 OBDepict O N H H N H H OH N N O IC50 = 68.0 nM 384.48 O=C(NCc1ccc(-c2noc(CCC3CCCC3)n2)cc1)[C@H]1NCC[C@@H]1O Homo sapiens CHEMBL1211760 single protein format
CHEMBL1209322 OBDepict H 3 C O N N N H O H HN H OH IC50 = 68.0 nM 386.5 CCCCCCCc1nc(-c2ccc(CNC(=O)[C@H]3NCC[C@@H]3O)cc2)no1 Homo sapiens CHEMBL1211760 single protein format
CHEMBL1209386 OBDepict CH 3 S N N H O H HN H OH IC50 = 70.0 nM 401.58 CCCCCCCc1cnc(-c2ccc(CNC(=O)[C@H]3NCC[C@@H]3O)cc2)s1 Homo sapiens CHEMBL1211760 single protein format
CHEMBL2409892 OBDepict CH 3 N S N H N H HO H HO IC50 = 70.0 nM 389.57 CCCCc1csc(Nc2ccc(CCN3CC[C@H](O)C[C@@H]3CO)cc2)n1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL2409879 OBDepict HO H N H HO N H S N IC50 = 70.0 nM 409.56 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccccc3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL3809554 OBDepict H 3 C N N O HN NH 2 ClH Ki = 70.0 nM 419.01 CCCCCCCCCCCc1cccc(-c2noc(C3(C(=N)N)CC3)n2)c1.Cl Homo sapiens CHEMBL3811131 cell-based format
CHEMBL3924206 OBDepict OH N H 2 N H N O O Ki = 75.0 nM 443.63 N/C(=NO)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1 Homo sapiens CHEMBL3888896 cell-based format
CHEMBL1774573 OBDepict O N H HN H 2 N O ClH Ki = 75.0 nM 464.09 Cl.N=C(N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCOCC2CCCCC2)cc1 Homo sapiens CHEMBL1777257 cell-based format
CHEMBL2409859 OBDepict OH H N N H S N IC50 = 80.0 nM 443.62 OC[C@H]1CCCCN1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL2409877 OBDepict OH H N N H S N Cl IC50 = 80.0 nM 428.0 OC[C@H]1CCCCN1CCc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL1209324 OBDepict CH 3 O N N N H O H HN H OH IC50 = 86.0 nM 400.52 CCCCCCCCc1nc(-c2ccc(CNC(=O)[C@H]3NCC[C@@H]3O)cc2)no1 Homo sapiens CHEMBL1211760 single protein format
CHEMBL1774569 OBDepict O NH NH NH 2 O ClH Ki = 95.0 nM 416.05 Cl.N=C(N)C1(NC(=O)CCCCCCCCCCOCC2CCCCC2)CC1 Homo sapiens CHEMBL1777257 cell-based format
CHEMBL1774574 OBDepict O N H HN H 2 N ClH Ki = 99.0 nM 462.12 Cl.N=C(N)[C@@H]1CCCN1C(=O)c1ccc(CCCCCCCCCC2CCCCC2)cc1 Homo sapiens CHEMBL1777257 cell-based format
CHEMBL3809162 OBDepict H 3 C N N O HN NH 2 ClH Ki = 100.0 nM 404.99 CCCCCCCCCCc1cccc(-c2noc(C3(C(=N)N)CC3)n2)c1.Cl Homo sapiens CHEMBL3811131 cell-based format
CHEMBL3893052 OBDepict CH 3 N O H N H 2 N HO Ki = 100.0 nM 401.6 CCCCCCCCCCCCc1ccc(C(=O)N2CCC[C@H]2/C(N)=N/O)cc1 Homo sapiens CHEMBL3888896 cell-based format
CHEMBL3940259 OBDepict OH N NH 2 NH O O Ki = 110.0 nM 395.59 N/C(=NO)C1(C(=O)NCCCCCCCCCCOCC2CCCCC2)CC1 Homo sapiens CHEMBL3888896 cell-based format
CHEMBL1774563 OBDepict NH 2 HN N H O O ClH Ki = 110.0 nM 416.05 Cl.N=C(N)C1(C(=O)NCCCCCCCCCCOCC2CCCCC2)CC1 Homo sapiens CHEMBL1777257 cell-based format
CHEMBL1774588 OBDepict O N H HN H 2 N S N ClH Ki = 110.0 nM 523.15 Cl.N=C(N)[C@@H]1CCCN1C(=O)c1ccc(-c2nc(-c3cccc(CCC4CCCCC4)c3)cs2)cc1 Homo sapiens CHEMBL1777257 cell-based format
CHEMBL1209616 OBDepict H 3 C O N N N H H CH 3 H 3 C O H HN H OH IC50 = 110.0 nM 428.58 CCCCCCCc1nc(-c2ccc([C@@H](NC(=O)[C@H]3NCC[C@@H]3O)C(C)C)cc2)no1 Homo sapiens CHEMBL1211760 single protein format
CHEMBL4076808 OBDepict H 2 N N NH H O N N N H S N F F F ClH Ki = 120.0 nM 550.01 Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2)no1 Homo sapiens CHEMBL4051831 single protein format
CHEMBL2409872 OBDepict HO H N N H S N F IC50 = 120.0 nM 411.55 OC[C@H]1CCCCN1CCc1ccc(Nc2nc(-c3ccccc3F)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL1774571 OBDepict H 3 C N O H HN NH 2 ClH Ki = 130.0 nM 422.06 CCCCCCCCCCCCc1ccc(C(=O)N2CCC[C@H]2C(=N)N)cc1.Cl Homo sapiens CHEMBL1777257 cell-based format
CHEMBL3902549 OBDepict OH N H 2 N HN O O Ki = 130.0 nM 429.61 N/C(=NO)C1(NC(=O)c2ccc(CCCCCCCOCC3CCCCC3)cc2)CC1 Homo sapiens CHEMBL3888896 cell-based format
CHEMBL1774565 OBDepict O NH NH NH 2 O ClH Ki = 130.0 nM 450.07 Cl.N=C(N)C1(NC(=O)c2ccc(CCCCCCCOCC3CCCCC3)cc2)CC1 Homo sapiens CHEMBL1777257 cell-based format
CHEMBL1774585 OBDepict O N H NH NH 2 O ClH Ki = 130.0 nM 430.08 Cl.N=C(N)[C@@H]1CCCN1C(=O)CCCCCCCCCCOCC1CCCCC1 Homo sapiens CHEMBL1777257 cell-based format
CHEMBL2409867 OBDepict OH H N H OH N H S N Cl Cl IC50 = 130.0 nM 464.42 OC[C@H]1C[C@@H](O)CN1CCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL2409846 OBDepict HO H N H HO N H S N IC50 = 130.0 nM 401.58 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(C3CCCC3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL4578165 OBDepict OH H N O S IC50 = 137.0 nM 419.59 OC[C@H]1CCCN1Cc1ccc(COc2cccc(SCc3ccccc3)c2)cc1 Homo sapiens CHEMBL4392250 cell-based format
CHEMBL2409851 OBDepict OH N N H S N IC50 = 140.0 nM 443.62 OCC1CCCCN1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL3348835 OBDepict OH H N O CH 3 S O O IC50 = 142.0 nM 465.62 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)c1 Homo sapiens CHEMBL4009721 cell-based format
CHEMBL2407119 OBDepict HO H N N H S N Cl IC50 = 150.0 nM 428.0 OC[C@H]1CCCCN1CCc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL3906899 OBDepict OH N H 2 N HN O O Ki = 170.0 nM 415.58 N/C(=NO)C1(NC(=O)c2ccc(CCCCCCCOCC3CCCC3)cc2)CC1 Homo sapiens CHEMBL3888896 cell-based format
CHEMBL1774566 OBDepict NH 2 HN HN O O ClH Ki = 170.0 nM 436.04 Cl.N=C(N)C1(NC(=O)c2ccc(CCCCCCCOCC3CCCC3)cc2)CC1 Homo sapiens CHEMBL1777257 cell-based format
CHEMBL2409875 OBDepict OH H N N H S N F F F IC50 = 170.0 nM 461.55 OC[C@H]1CCCCN1CCc1ccc(Nc2nc(-c3ccccc3C(F)(F)F)cs2)cc1 Homo sapiens CHEMBL2412224 single protein format
CHEMBL4456309 OBDepict HO H N O O F IC50 = 170.0 nM 421.51 OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccc(F)cc3)c2)cc1 Homo sapiens CHEMBL4392250 cell-based format
CHEMBL575772 OBDepict CH 3 HN O NH 2 OH IC50 = 180.0 nM 306.45 CCCCCCCCc1ccc(NC(=O)C(N)CCO)cc1 Homo sapiens CHEMBL1052796 single protein format