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Q9NRA0 | SPHK2_HUMAN | Sphingosine kinase 2 (SPHK2)

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
CHEMBL4750447 OBDepict CH 3 N N N O H N NH NH 2 ClH Ki = 0.09 nM 459.04 CCCCCCCCCn1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc21.Cl Homo sapiens CHEMBL4736175 cell-based format
CHEMBL4782021 OBDepict H 3 C N N N O H N HN H 2 N ClH Ki = 0.12 nM 473.07 CCCCCCCCCCn1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc21.Cl Homo sapiens CHEMBL4736175 cell-based format
CHEMBL4783605 OBDepict CH 3 N N N O H N NH H 2 N ClH Ki = 0.29 nM 501.12 CCCCCCCCCCCCn1cc(-c2noc([C@@H]3CCCN3C(=N)N)n2)c2ccccc21.Cl Homo sapiens CHEMBL4736175 cell-based format
CHEMBL4755938 OBDepict CH 3 N N N O H N NH H 2 N ClH Ki = 0.3 nM 473.07 CCCCCCCCCCn1cc(-c2noc([C@@H]3CCCN3C(=N)N)n2)c2ccccc21.Cl Homo sapiens CHEMBL4736175 cell-based format
CHEMBL3814580 OBDepict CH 3 O N N O H N NH NH 2 ClH Ki = 0.98 nM 415.93 CCCCOc1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc2c1.Cl Homo sapiens CHEMBL4736175 cell-based format
CHEMBL3814849 OBDepict H 2 N N NH H O N N O F F F ClH Ki = 1.02 nM 517.94 Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3c2)no1 Homo sapiens CHEMBL4736175 cell-based format
CHEMBL4086094 OBDepict HO H N O CH 3 CH 3 IC50 < 1.7 nM 339.48 CC(C)c1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 Homo sapiens CHEMBL4009723 single protein format
CHEMBL4066270 OBDepict OH H N O IC50 < 1.7 nM 379.54 OC[C@H]1CCCN1Cc1ccc(COc2cccc(C3CCCCC3)c2)cc1 Homo sapiens CHEMBL4009723 single protein format
CHEMBL4104017 OBDepict OH H N O N N O CH 3 IC50 = 2.4 nM 379.46 Cc1nc(-c2cccc(OCc3ccc(CN4CCC[C@@H]4CO)cc3)c2)no1 Homo sapiens CHEMBL4009723 single protein format
CHEMBL3134157 OBDepict OH H N O CH 3 S O O Ki = 3.6 nM 465.62 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 Homo sapiens CHEMBL4392261 single protein format
CHEMBL4574678 OBDepict OH H N O O IC50 = 16.0 nM 403.52 OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3)c2)cc1 Homo sapiens CHEMBL4392251 cell-based format
CHEMBL4593030 OBDepict HO H N O S F IC50 = 17.0 nM 437.58 OC[C@H]1CCCN1Cc1ccc(COc2cccc(SCc3ccc(F)cc3)c2)cc1 Homo sapiens CHEMBL4392251 cell-based format
CHEMBL2409849 OBDepict HO H N H HO N H S N F F F F IC50 = 20.0 nM 495.54 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3F)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4578165 OBDepict OH H N O S IC50 = 26.0 nM 419.59 OC[C@H]1CCCN1Cc1ccc(COc2cccc(SCc3ccccc3)c2)cc1 Homo sapiens CHEMBL4392251 cell-based format
CHEMBL4453199 OBDepict HO H N O S Cl IC50 = 31.0 nM 454.04 OC[C@H]1CCCN1Cc1ccc(COc2cccc(SCc3ccc(Cl)cc3)c2)cc1 Homo sapiens CHEMBL4392251 cell-based format
CHEMBL4472026 OBDepict OH H N O IC50 = 35.0 nM 401.55 OC[C@H]1CCCN1Cc1ccc(COc2cccc(CCc3ccccc3)c2)cc1 Homo sapiens CHEMBL4392251 cell-based format
CHEMBL2409848 OBDepict HO H N H HO N H S N F F F F IC50 = 40.0 nM 495.54 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3cccc(C(F)(F)F)c3F)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL2409847 OBDepict HO H N H HO N H S N Cl Cl IC50 = 40.0 nM 478.45 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4551657 OBDepict HO H N O O Cl IC50 = 41.0 nM 437.97 OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccc(Cl)cc3)c2)cc1 Homo sapiens CHEMBL4392251 cell-based format
CHEMBL4456309 OBDepict HO H N O O F IC50 = 49.0 nM 421.51 OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccc(F)cc3)c2)cc1 Homo sapiens CHEMBL4392251 cell-based format
CHEMBL2409850 OBDepict HO H N H HO N H S N F F F F IC50 = 50.0 nM 495.54 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4551903 OBDepict HO H N O O F IC50 = 55.0 nM 421.51 OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3F)c2)cc1 Homo sapiens CHEMBL4392251 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 CHEMBL4669277 cell-based format
CHEMBL4453931 OBDepict H 2 N N NH H O N N O F F F F F F ClH Ki = 89.0 nM 535.88 Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)c(C(F)(F)F)c2)no1 Homo sapiens CHEMBL4357639 cell-based format
CHEMBL2409867 OBDepict OH H N H OH N H S N Cl Cl IC50 = 90.0 nM 464.42 OC[C@H]1C[C@@H](O)CN1CCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL2409888 OBDepict HO H N H HO N H S N Cl IC50 = 90.0 nM 444.0 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL2409870 OBDepict HO H N H OH N H S N Cl Cl IC50 = 90.0 nM 478.45 OC[C@H]1C[C@H](O)CN1CCCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4076808 OBDepict H 2 N N NH H O N N N H S N F F F ClH Ki = 90.0 nM 550.01 Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2)no1 Homo sapiens CHEMBL4051832 single protein format
CHEMBL4074731 OBDepict H 2 N N NH H O N N N H S N ClH Ki = 90.0 nM 558.11 Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2)no1 Homo sapiens CHEMBL4051832 single protein format
CHEMBL2409891 OBDepict HO H N H HO N H S N F F F IC50 = 100.0 nM 477.55 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL2409889 OBDepict OH H N H HO N H S N CH 3 IC50 = 110.0 nM 423.58 Cc1ccc(-c2csc(Nc3ccc(CCN4CC[C@H](O)C[C@@H]4CO)cc3)n2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4448423 OBDepict HO H N O O O CH 3 IC50 = 119.0 nM 433.55 COc1ccc(COc2cccc(OCc3ccc(CN4CCC[C@@H]4CO)cc3)c2)cc1 Homo sapiens CHEMBL4392251 cell-based format
CHEMBL4474024 OBDepict HO H N O O F IC50 = 143.0 nM 421.51 OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3cccc(F)c3)c2)cc1 Homo sapiens CHEMBL4392251 cell-based format
CHEMBL4063506 OBDepict OH H N O N H O IC50 = 145.0 nM 416.52 O=C(Nc1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1)c1ccccc1 Homo sapiens CHEMBL4009723 single protein format
CHEMBL3763321 OBDepict HO H N H OH N H S N F F F IC50 = 148.0 nM 477.55 OC[C@H]1C[C@H](O)CN1CCCc1ccc(Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 Homo sapiens CHEMBL3767196 single protein format
CHEMBL2409883 OBDepict OH H N H OH N H S N Cl IC50 = 150.0 nM 444.0 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3cccc(Cl)c3)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4454855 OBDepict HO H N O O Cl IC50 = 151.0 nM 437.97 OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3ccccc3Cl)c2)cc1 Homo sapiens CHEMBL4392251 cell-based format
CHEMBL4090361 OBDepict OH H N O S O O IC50 = 164.0 nM 451.59 O=S(=O)(Cc1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1)c1ccccc1 Homo sapiens CHEMBL4009723 single protein format
CHEMBL4069327 OBDepict OH H N O S O O IC50 = 164.0 nM 415.56 O=S(=O)(Cc1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1)C1CC1 Homo sapiens CHEMBL4009723 single protein format
CHEMBL4071762 OBDepict H 2 N N NH H O N N N H S N F F F F ClH Ki = 170.0 nM 568.0 Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)cs3)cc2)no1 Homo sapiens CHEMBL4051832 single protein format
CHEMBL4082275 OBDepict F N F F F S N H N N O H N HN NH 2 ClH Ki = 170.0 nM 568.0 Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Nc3nc(-c4cc(F)cc(C(F)(F)F)c4)cs3)cc2)no1 Homo sapiens CHEMBL4051832 single protein format
CHEMBL2409886 OBDepict OH H N H OH N H S N F F F IC50 = 170.0 nM 477.55 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4456325 OBDepict NH 2 N HN H O N N O F F F ClH Ki = 186.0 nM 507.94 Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)c(C3CC3)c2)no1 Homo sapiens CHEMBL4357639 cell-based format
CHEMBL4593983 OBDepict NH 2 N HN H O N N O CH 3 CH 3 F F F ClH Ki = 192.0 nM 509.96 CC(C)c1cc(-c2noc([C@@H]3CCCN3C(=N)N)n2)ccc1OCc1ccc(C(F)(F)F)cc1.Cl Homo sapiens CHEMBL4357639 cell-based format
CHEMBL4570134 OBDepict H 2 N N NH H O N N O H 3 C CH 3 H 3 C F F F ClH Ki = 197.0 nM 523.99 CC(C)(C)c1cc(-c2noc([C@@H]3CCCN3C(=N)N)n2)ccc1OCc1ccc(C(F)(F)F)cc1.Cl Homo sapiens CHEMBL4357639 cell-based format
CHEMBL2407197 OBDepict OH H N H OH N H S N IC50 = 200.0 nM 467.68 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4462152 OBDepict H 3 C O N N O H N NH NH 2 F F F ClH Ki = 201.0 nM 509.96 CCCc1cc(-c2noc([C@@H]3CCCN3C(=N)N)n2)ccc1OCc1ccc(C(F)(F)F)cc1.Cl Homo sapiens CHEMBL4357639 cell-based format
CHEMBL2409880 OBDepict HO H N H HO N H S N F IC50 = 220.0 nM 427.55 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccccc3F)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4759664 OBDepict H 3 C N N N N N N N O H N NH H 2 N ClH IC50 = 234.0 nM 468.95 Cl.Cn1cc(-c2cn(Cc3ccc(-c4noc(C[C@@H]5CCCN5C(=N)N)n4)cc3)nn2)cn1 Homo sapiens CHEMBL4710644 cell-based format
CHEMBL4075031 OBDepict H HO H H 2 N H O O IC50 = 240.0 nM 355.56 N[C@@H]1CO[C@@H](CCCCCCCCCCOCC2CCCCC2)[C@H]1O Homo sapiens CHEMBL4034226 assay format
CHEMBL4784819 OBDepict H 2 N N HN H O N N N N N ClH IC50 = 248.0 nM 414.9 Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(Cn3cc(C4CC4)nn3)cc2)no1 Homo sapiens CHEMBL4710644 cell-based format
CHEMBL4093841 OBDepict H 2 N N NH H O N N N H S N O F F F ClH Ki = 250.0 nM 566.01 Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Nc3nc(-c4ccc(OC(F)(F)F)cc4)cs3)cc2)no1 Homo sapiens CHEMBL4051832 single protein format
CHEMBL2409869 OBDepict OH H N H OH N H S N Cl Cl IC50 = 250.0 nM 464.42 OC[C@H]1C[C@H](O)CN1CCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4746451 OBDepict CH 3 N N N N N O H N NH NH 2 ClH IC50 = 254.0 nM 430.94 CCCCc1cn(Cc2ccc(-c3noc([C@@H]4CCCN4C(=N)N)n3)cc2)nn1.Cl Homo sapiens CHEMBL4710644 cell-based format
CHEMBL4753468 OBDepict NH 2 HN O N N N N N ClH IC50 = 261.0 nM 421.89 Cl.N=C(N)C1(c2nc(-c3ccc(Cn4cc(-c5ccccc5)nn4)cc3)no2)CC1 Homo sapiens CHEMBL4710644 cell-based format
CHEMBL4740722 OBDepict CH 3 O N N N N N O H N NH NH 2 ClH IC50 = 266.0 nM 480.96 COc1ccc(-c2cn(Cc3ccc(-c4noc([C@@H]5CCCN5C(=N)N)n4)cc3)nn2)cc1.Cl Homo sapiens CHEMBL4710644 cell-based format
CHEMBL4798501 OBDepict H 3 C N N N N N N N O NH H 2 N ClH IC50 = 269.0 nM 425.88 Cl.Cn1cc(-c2cn(Cc3ccc(-c4noc(C5(C(=N)N)CC5)n4)cc3)nn2)cn1 Homo sapiens CHEMBL4710644 cell-based format
CHEMBL2409868 OBDepict HO H N H OH N H S N Cl Cl IC50 = 270.0 nM 478.45 OC[C@H]1C[C@@H](O)CN1CCCc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4076808 OBDepict H 2 N N NH H O N N N H S N F F F ClH IC50 = 280.0 nM 550.01 Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2)no1 Homo sapiens CHEMBL4710644 cell-based format
CHEMBL3287035 OBDepict CH 3 OH H NH H HO NH H 2 N ClH IC50 = 300.0 nM 378.0 CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(=N)N.Cl Homo sapiens CHEMBL3294303 single protein format
CHEMBL3134157 OBDepict OH H N O CH 3 S O O IC50 = 356.0 nM 465.62 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 Homo sapiens CHEMBL4009723 single protein format
CHEMBL4786788 OBDepict H 2 N N NH H O N N N N N F F F ClH IC50 = 359.0 nM 518.93 Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)no1 Homo sapiens CHEMBL4710644 cell-based format
CHEMBL4466524 OBDepict CH 3 O F F F N N O H N NH NH 2 ClH Ki = 370.0 nM 489.97 CCCCCCCCOc1ccc(-c2noc([C@@H]3CCCN3C(=N)N)n2)cc1C(F)(F)F.Cl Homo sapiens CHEMBL4357639 cell-based format
CHEMBL2409877 OBDepict OH H N N H S N Cl IC50 = 370.0 nM 428.0 OC[C@H]1CCCCN1CCc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4076479 OBDepict H 2 N N NH H O N N N H S N F F F ClH Ki = 390.0 nM 550.01 Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Nc3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)no1 Homo sapiens CHEMBL4051832 single protein format
CHEMBL2407198 OBDepict HO H N H HO N H S N IC50 = 390.0 nM 415.6 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(C3CCCCC3)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4754272 OBDepict F N N N N N O H N NH H 2 N ClH IC50 = 391.0 nM 468.92 Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(Cn3cc(-c4ccc(F)cc4)nn3)cc2)no1 Homo sapiens CHEMBL4710644 cell-based format
CHEMBL4790566 OBDepict H 2 N N NH H O N N N N N ClH IC50 = 396.0 nM 464.96 Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Cn3cc(-c4ccccc4)nn3)cc2)no1 Homo sapiens CHEMBL4710644 cell-based format
CHEMBL4799862 OBDepict CH 3 O O F F F N N O H N NH NH 2 ClH Ki = 400.0 nM 596.09 CCCCCCCCOc1ccc(COc2ccc(-c3noc([C@@H]4CCCN4C(=N)N)n3)cc2C(F)(F)F)cc1.Cl Homo sapiens CHEMBL4689037 single protein format
CHEMBL4455113 OBDepict HO H N O O Cl IC50 = 412.0 nM 437.97 OC[C@H]1CCCN1Cc1ccc(COc2cccc(OCc3cccc(Cl)c3)c2)cc1 Homo sapiens CHEMBL4392251 cell-based format
CHEMBL2409881 OBDepict HO H N H HO N H S N Cl IC50 = 430.0 nM 444.0 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4077280 OBDepict CH 3 O S O O N H OH IC50 = 443.0 nM 451.59 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CC[C@H](O)C3)cc2)c1 Homo sapiens CHEMBL4009723 single protein format
CHEMBL4758134 OBDepict H 2 N N NH H O N N N N N N ClH IC50 = 452.0 nM 465.95 Cl.N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Cn3cc(-c4ccccn4)nn3)cc2)no1 Homo sapiens CHEMBL4710644 cell-based format
CHEMBL4101713 OBDepict H H 2 N O H OH H O IC50 = 460.0 nM 341.54 N[C@@H]1CO[C@@H](CCCCCCCCCOCC2CCCCC2)[C@H]1O Homo sapiens CHEMBL4034226 assay format
CHEMBL4061789 OBDepict H 3 C O S O O N H OH H OH IC50 = 465.0 nM 467.59 Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@@H](O)[C@H](O)C3)cc2)c1 Homo sapiens CHEMBL4009723 single protein format
CHEMBL1092481 OBDepict CH 3 N H O NH H 2 N ClH Ki = 500.0 nM 408.03 CCCCCCCCCCCCc1ccc(C(=O)NC2(C(=N)N)CC2)cc1.Cl Homo sapiens CHEMBL2412223 single protein format
CHEMBL4098301 OBDepict CH 3 H O H HO H H 2 N IC50 = 560.0 nM 319.49 CCCCCCCCc1ccc(CC[C@@H]2OC[C@@H](N)[C@@H]2O)cc1 Homo sapiens CHEMBL4034226 assay format
CHEMBL1819205 OBDepict H 3 C H O H HO H H 2 N IC50 = 600.0 nM 299.5 CCCCCCCCCCCCCC[C@@H]1OC[C@@H](N)[C@@H]1O Homo sapiens CHEMBL4034226 assay format
CHEMBL4788185 OBDepict CH 3 O N N N N N O H N NH H 2 N ClH IC50 = 640.0 nM 494.99 COc1ccc(-c2cn(Cc3ccc(-c4noc(C[C@@H]5CCCN5C(=N)N)n4)cc3)nn2)cc1.Cl Homo sapiens CHEMBL4710644 cell-based format
CHEMBL4081791 OBDepict H 3 C H O H OH H NH 2 IC50 = 670.0 nM 347.54 CCCCCCCCCCc1ccc(CC[C@@H]2OC[C@@H](N)[C@@H]2O)cc1 Homo sapiens CHEMBL4034226 assay format
CHEMBL4795313 OBDepict NH 2 N NH H O N N N N N S ClH IC50 = 687.0 nM 456.96 Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(Cn3cc(-c4cccs4)nn3)cc2)no1 Homo sapiens CHEMBL4710644 cell-based format
CHEMBL2409884 OBDepict OH H N H HO N H S N CH 3 IC50 = 700.0 nM 423.58 Cc1cccc(-c2csc(Nc3ccc(CCN4CC[C@H](O)C[C@@H]4CO)cc3)n2)c1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4740413 OBDepict NH 2 HN O N N N N N ClH IC50 = 717.0 nM 385.86 Cl.N=C(N)C1(c2nc(-c3ccc(Cn4cc(C5CC5)nn4)cc3)no2)CC1 Homo sapiens CHEMBL4710644 cell-based format
CHEMBL2409861 OBDepict HO H N H HO N H S N IC50 = 760.0 nM 459.62 OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4076550 OBDepict H HO H H 2 N H O O IC50 = 780.0 nM 369.59 N[C@@H]1CO[C@@H](CCCCCCCCCCCOCC2CCCCC2)[C@H]1O Homo sapiens CHEMBL4034226 assay format
CHEMBL4067667 OBDepict H 3 C H 3 C O H O H OH H H 2 N IC50 = 840.0 nM 329.53 CC(C)COCCCCCCCCCCC[C@@H]1OC[C@@H](N)[C@@H]1O Homo sapiens CHEMBL4034226 assay format
CHEMBL4074878 OBDepict CH 3 O N N O H N H HO NH NH 2 Ki = 900.0 nM 409.49 CCCCCOc1ccc2cc(-c3noc([C@H]4[C@@H](O)CCN4C(=N)N)n3)ccc2c1 Homo sapiens CHEMBL4051832 single protein format
CHEMBL3814505 OBDepict CH 3 O N N O H N H HO NH NH 2 ClH Ki = 900.0 nM 445.95 CCCCCOc1ccc2cc(-c3noc([C@@H]4[C@@H](O)CCN4C(=N)N)n3)ccc2c1.Cl Homo sapiens CHEMBL3816946 single protein format
CHEMBL4444218 OBDepict OH H N O O S O O IC50 = 902.0 nM 453.56 O=S(=O)(Oc1cccc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1)c1ccccc1 Homo sapiens CHEMBL4392251 cell-based format
CHEMBL4744487 OBDepict H 2 N N NH H O N N N N N N ClH IC50 = 909.0 nM 451.92 Cl.N=C(N)N1CCC[C@H]1c1nc(-c2ccc(Cn3cc(-c4ccccn4)nn3)cc2)no1 Homo sapiens CHEMBL4710644 cell-based format
CHEMBL2409890 OBDepict OH H N H HO N H S N O H 3 C IC50 = 940.0 nM 439.58 COc1ccc(-c2csc(Nc3ccc(CCN4CC[C@H](O)C[C@@H]4CO)cc3)n2)cc1 Homo sapiens CHEMBL2412223 single protein format
CHEMBL4763909 OBDepict CH 3 N H OH ClH Ki = 951.0 nM 396.06 CCCCCCCCCCCCc1ccc(CN2CCC[C@@H]2CO)cc1.Cl Homo sapiens CHEMBL4689037 single protein format
CHEMBL3814234 OBDepict CH 3 CH 3 O N N O H N H HO NH NH 2 ClH Ki = 980.0 nM 431.92 CC(C)COc1ccc2cc(-c3noc([C@@H]4[C@@H](O)CCN4C(=N)N)n3)ccc2c1.Cl Homo sapiens CHEMBL3816946 single protein format
CHEMBL3813833 OBDepict CH 3 O N N O H N NH NH 2 ClH Ki = 980.0 nM 429.95 CCCCCOc1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc2c1.Cl Homo sapiens CHEMBL3816946 single protein format