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P50053 | KHK_HUMAN | Ketohexokinase (KHK)

3D structures mapped by conservation among orthologs

[ Domain: "Ribokinase-like" // PfkB ]

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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
CHEMBL2063924 OBDepict CH 3 S NH N N N N N HN N H IC50 = 2.0 nM 448.6 CSc1ccccc1Nc1nc(N2CCC3(CNC3)C2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL4549658 OBDepict HO O H H H N N N N F F F H CH 3 Ki = 4.53 nM 356.35 C[C@H]1CCN1c1nc(N2C[C@H]3[C@H](CC(=O)O)[C@H]3C2)cc(C(F)(F)F)n1 Homo sapiens CHEMBL4676080 assay format
CHEMBL4754053 OBDepict N N N F F F N H H 3 C H HO H H H O OH IC50 = 6.0 nM 396.37 C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(=O)O)[C@H]3C2)cc(C(F)(F)F)c1C#N Homo sapiens CHEMBL4676054 assay format
CHEMBL2017244 OBDepict H 3 C O NH N N N N N HN NH S CH 3 IC50 = 7.0 nM 426.55 COCCNc1ncnc2c(Nc3ccccc3SC)nc(N3CCNCC3)nc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017248 OBDepict CH 3 S N H N N N N N H 2 N N H IC50 = 7.1 nM 368.47 CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(N)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017253 OBDepict H 3 C S HN N N N N N HN HN IC50 = 8.0 nM 434.57 CSc1ccccc1Nc1nc(N2CC3(CNC3)C2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017247 OBDepict CH 3 S N H N N N N N N H N H N IC50 = 9.8 nM 459.58 CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCc3ccccn3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017251 OBDepict NH 2 N N N N H N N H N S CH 3 IC50 = 10.0 nM 450.62 CSc1ccccc1Nc1nc(N2CCC(CN)CC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017214 OBDepict CH 3 S N H N N N N N HN HN IC50 = 12.0 nM 422.56 CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL4782925 OBDepict HO O H H H N N N N F F F H CH 3 H HO IC50 = 14.0 nM 372.35 C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(=O)O)[C@H]3C2)cc(C(F)(F)F)n1 Homo sapiens CHEMBL4676055 assay format
CHEMBL4549658 OBDepict HO O H H H N N N N F F F H CH 3 IC50 = 14.0 nM 356.35 C[C@H]1CCN1c1nc(N2C[C@H]3[C@H](CC(=O)O)[C@H]3C2)cc(C(F)(F)F)n1 Homo sapiens CHEMBL4344288 assay format
CHEMBL2063925 OBDepict CH 3 S NH N N N N N HN HN IC50 = 15.0 nM 490.68 CSc1ccccc1Nc1nc(N2CCC3(CCNCC3)CC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL2017246 OBDepict H 3 C S N H N N N N N N H N H N S IC50 = 16.0 nM 465.61 CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCc3nccs3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017242 OBDepict H 3 C S N H N N N N N N H N H IC50 = 18.0 nM 436.59 CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CCC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017249 OBDepict CH 3 S N H N N N N N N H H NH 2 IC50 = 18.0 nM 436.59 CSc1ccccc1Nc1nc(N2CCC[C@@H](N)C2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017250 OBDepict CH 3 S N H N N N N N N H H NH 2 IC50 = 23.0 nM 436.59 CSc1ccccc1Nc1nc(N2CCC[C@H](N)C2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL1809168 OBDepict H 3 C S N N F NH IC50 = 23.0 nM 339.44 CSc1nn(-c2ccc(F)cc2)c2cc(C3=CCNCC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL2063927 OBDepict H 3 C S HN N N N N N NH N NH IC50 = 28.0 nM 505.7 CSc1ccccc1Nc1nc(N2CCC(N3CCNCC3)CC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL2017245 OBDepict H 3 C S N H N N N N N N H N H S IC50 = 30.0 nM 464.62 CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCc3cccs3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017252 OBDepict H 2 N N N N N H N HN N S CH 3 IC50 = 30.0 nM 422.56 CSc1ccccc1Nc1nc(N2CC(CN)C2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2063929 OBDepict H 3 C S HN N N N N N NH N N CH 3 IC50 = 30.0 nM 519.72 CSc1ccccc1Nc1nc(N2CCC(N3CCN(C)CC3)CC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL1809169 OBDepict CH 3 S N N H 3 C HN IC50 = 34.0 nM 335.48 CSc1nn(-c2cccc(C)c2)c2cc(C3=CCNCC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL1809170 OBDepict H 3 C S N N H 3 C NH IC50 = 40.0 nM 335.48 CSc1nn(-c2ccc(C)cc2)c2cc(C3=CCNCC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL2063916 OBDepict CH 3 S N H N N N N N N H N H CH 3 CH 3 IC50 = 40.0 nM 450.62 CSc1ccccc1Nc1nc(N2CCNC(C)(C)C2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL1809167 OBDepict CH 3 S N N F HN IC50 = 42.0 nM 339.44 CSc1nn(-c2cccc(F)c2)c2cc(C3=CCNCC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL2063923 OBDepict CH 3 S N H N N N N N N H NH IC50 = 43.0 nM 462.63 CSc1ccccc1Nc1nc(N2CCC3(CCNC3)C2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL2063926 OBDepict H 3 C S HN N N N N N NH N NH IC50 = 48.0 nM 505.7 CSc1ccccc1Nc1nc(N2CCN(C3CCNCC3)CC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL2017243 OBDepict CH 3 S N H N N N N N HN N H IC50 = 50.0 nM 436.59 CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2063928 OBDepict H 3 C S HN N N N N N NH NH IC50 = 50.0 nM 504.71 CSc1ccccc1Nc1nc(N2CCC(C3CCNCC3)CC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL2063914 OBDepict CH 3 S N H N N N N N HN H H 3 C HN IC50 = 58.0 nM 436.59 CSc1ccccc1Nc1nc(N2CCNC[C@H]2C)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL2017235 OBDepict CH 3 N H N N N N N N H N H N S IC50 = 60.0 nM 433.55 Cc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCc3nccs3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2063917 OBDepict CH 3 S NH N N N N H 3 C N HN HN IC50 = 66.0 nM 464.64 CSc1ccccc1Nc1nc(N(C)CC2CCNCC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL2063913 OBDepict H 3 C S N H N N N N N NH NH CH 3 IC50 = 70.0 nM 436.59 CSc1ccccc1Nc1nc(N2CCNC(C)C2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL2017239 OBDepict H 2 N N N N N H N N H N CH 3 IC50 = 70.0 nM 418.55 Cc1ccccc1Nc1nc(N2CCC(CN)CC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL1809152 OBDepict CH 3 S N N HN IC50 = 80.0 nM 321.45 CSc1nn(-c2ccccc2)c2cc(C3=CCNCC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL1809171 OBDepict CH 3 S N N O CH 3 NH IC50 = 87.0 nM 351.48 COc1ccc(-n2nc(SC)c3ccc(C4=CCNCC4)cc32)cc1 Homo sapiens CHEMBL1810789 single protein format
CHEMBL2017212 OBDepict CH 3 O N H N N N N N HN HN IC50 = 100.0 nM 406.49 COc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2063915 OBDepict CH 3 S N H N N N N N N H H H 3 C N H H CH 3 IC50 = 110.0 nM 450.62 CSc1ccccc1Nc1nc(N2C[C@H](C)N[C@H](C)C2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL2017256 OBDepict H 3 C S N H N N N N N NH N CH 3 IC50 = 110.0 nM 436.59 CSc1ccccc1Nc1nc(N2CCN(C)CC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017254 OBDepict H 3 C N H N CH 3 N N N H N NH N S H 3 C IC50 = 130.0 nM 424.58 CNCCN(C)c1nc(Nc2ccccc2SC)c2ncnc(NCC3CC3)c2n1 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017220 OBDepict CH 3 N H N N N N N HN HN IC50 = 130.0 nM 404.52 CCc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017255 OBDepict CH 3 S N H N N N N N N H N CH 3 CH 3 IC50 = 140.0 nM 478.67 CSc1ccccc1Nc1nc(N2CCC(CN(C)C)CC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL4760155 OBDepict N N N F F F N H H 3 C H HO H H H OH IC50 = 140.0 nM 368.36 C[C@H]1[C@H](O)CN1c1nc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc(C(F)(F)F)c1C#N Homo sapiens CHEMBL4676054 assay format
CHEMBL1809173 OBDepict H 3 C S N N H 2 N NH IC50 = 160.0 nM 336.46 CSc1nn(-c2ccc(N)cc2)c2cc(C3=CCNCC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL3666113 OBDepict O HN N N H N N CH 3 IC50 = 160.0 nM 367.41 Cc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4nc[nH]c4c3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL2017225 OBDepict Br N H N N N N N NH NH IC50 = 170.0 nM 455.36 Brc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017240 OBDepict NH 2 N N N N H N N H N CH 3 IC50 = 200.0 nM 404.52 Cc1ccccc1Nc1nc(N2CCC(N)CC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017213 OBDepict H 3 C O N H N N N N N NH NH IC50 = 200.0 nM 420.52 CCOc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017209 OBDepict CH 3 N H N N N N N NH NH IC50 = 210.0 nM 390.5 Cc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL1809159 OBDepict H 3 C S N N NH O HN IC50 = 220.0 nM 338.44 CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CNC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL3666076 OBDepict CH 3 S N N HN O N IC50 = 230.0 nM 360.44 CSc1nn(-c2ccccc2)c2cc(NC(=O)c3cccnc3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL3666167 OBDepict H 3 C S N N N H IC50 = 230.0 nM 349.5 CSc1nn(-c2ccccc2)c2cc(/C=C/C3CCNCC3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL1809166 OBDepict H 3 C S N N O HN IC50 = 240.0 nM 353.49 CSc1nn(-c2ccccc2)c2c(OCC3CCNCC3)cccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL3666075 OBDepict H 3 C S N N NH O N H IC50 = 260.0 nM 352.46 CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCN3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL2017236 OBDepict CH 3 N H N N N N N N H N H IC50 = 300.0 nM 404.52 Cc1ccccc1Nc1nc(N2CCCNCC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL3666174 OBDepict CH 3 S N N HN O NH 2 HN IC50 = 300.0 nM 381.51 CSc1nn(-c2ccccc2)c2cc(NC(=O)C3(N)CCNCC3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL2017232 OBDepict CH N H N N N N N HN NH CH 3 IC50 = 300.0 nM 374.45 C#CCNc1ncnc2c(Nc3ccccc3C)nc(N3CCNCC3)nc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017234 OBDepict CH 3 N H N N N N N N H N H S IC50 = 300.0 nM 432.56 Cc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCc3cccs3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2063919 OBDepict H 3 C S N H N N N N N N H H HN H IC50 = 300.0 nM 462.63 CSc1ccccc1Nc1nc(N2CCC[C@H]3CNC[C@H]32)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL3639650 OBDepict CH 3 O N N N CH 3 N CH 3 HN H 3 C IC50 = 300.0 nM 441.58 CCc1nn(-c2ccccc2)c2nc(-c3ccc(N4CC(C)NC(C)C4)cc3)cc(OC)c12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL3666090 OBDepict H 3 C S N N N N N IC50 = 300.0 nM 401.54 CSc1nn(-c2ccccc2)c2cc(N3CCN(c4ccncc4)CC3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL1809157 OBDepict CH 3 S N N HN O HN IC50 = 310.0 nM 366.49 CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCCNC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL3666122 OBDepict CH 3 O N N N N HN IC50 = 310.0 nM 377.49 COc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)CC3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL1236391 OBDepict CH 3 S N N HN O HN IC50 = 330.0 nM 366.49 CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCNCC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL1809150 OBDepict CH 3 S N N HN IC50 = 330.0 nM 323.47 CSc1nn(-c2ccccc2)c2cc(C3CCNCC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL3666156 OBDepict CH 3 S N N N H 3 C N HN IC50 = 380.0 nM 421.61 CSc1nn(-c2cccc(C)c2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL2017222 OBDepict N H N N N HN N N NH IC50 = 380.0 nM 416.53 c1ccc(C2CC2)c(Nc2nc(N3CCNCC3)nc3c(NCC4CC4)ncnc23)c1 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL1809161 OBDepict H 3 C S N N N H O N N H IC50 = 380.0 nM 395.53 CSc1nn(-c2ccccc2)c2cc(NC(=O)CCN3CCNCC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL4793621 OBDepict N N N F F F N H H 3 C H HO H H H O HO IC50 = 390.0 nM 382.34 C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cc(C(F)(F)F)c1C#N Homo sapiens CHEMBL4676054 assay format
CHEMBL3666120 OBDepict H 3 C O N N N N NH IC50 = 390.0 nM 363.47 COc1nn(-c2ccccc2)c2cc(N3CC(N4CCNCC4)C3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL3666118 OBDepict CH 3 NH N N N H 3 C IC50 = 400.0 nM 306.41 Cc1nn(-c2ccccc2)c2cc(N3CCNC(C)C3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL2017208 OBDepict CH 3 NH N N N N N N H NH CH 3 IC50 = 400.0 nM 350.43 CNc1ncnc2c(Nc3ccccc3C)nc(N3CCNCC3)nc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017228 OBDepict CH 3 N H N N N N N N H HN CH 3 IC50 = 400.0 nM 378.48 CCCNc1ncnc2c(Nc3ccccc3C)nc(N3CCNCC3)nc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL2017233 OBDepict CH 3 NH N N N N N NH NH IC50 = 400.0 nM 426.53 Cc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCc3ccccc3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL4762437 OBDepict N N N F F F N H 3 C OH H HO H OH IC50 = 410.0 nM 372.35 C[C@]1(O)CCN(c2nc(N3C[C@H](O)[C@H](O)C3)cc(C(F)(F)F)c2C#N)C1 Homo sapiens CHEMBL4676054 assay format
CHEMBL3666153 OBDepict H 3 C S N N NH HN IC50 = 420.0 nM 352.51 CSc1nn(-c2ccccc2)c2cc(NCC3CCNCC3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL3666095 OBDepict CH 3 S N N N N O NH IC50 = 430.0 nM 435.6 CSc1nn(-c2ccccc2)c2cc(N3CCN(C(=O)C4CCCCN4)CC3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL2063918 OBDepict H 3 C S N H N N N N N N H H HN H IC50 = 440.0 nM 462.63 CSc1ccccc1Nc1nc(N2CCC[C@@H]3CNC[C@@H]32)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2065101 single protein format
CHEMBL1809156 OBDepict H 3 C S N N O HN IC50 = 440.0 nM 353.49 CSc1nn(-c2ccccc2)c2cc(OCC3CCNCC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL3666070 OBDepict CH 3 S N N N H N H O HN IC50 = 450.0 nM 367.48 CSc1nn(-c2ccccc2)c2cc(NC(=O)NC3CCNC3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL4070442 OBDepict N N N F F F N CH 3 HO H HO H OH IC50 = 450.0 nM 372.35 C[C@]1(O)CCN(c2nc(N3C[C@H](O)[C@@H](O)C3)cc(C(F)(F)F)c2C#N)C1 Homo sapiens CHEMBL4019530 assay format
CHEMBL3666086 OBDepict CH 3 S N N N O N HN IC50 = 460.0 nM 393.52 CSc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNC4)C3=O)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL4798024 OBDepict N N N F F F N H H 3 C H HO H OH H OH IC50 = 470.0 nM 358.32 C[C@H]1[C@H](O)CN1c1nc(N2C[C@H](O)[C@H](O)C2)cc(C(F)(F)F)c1C#N Homo sapiens CHEMBL4676054 assay format
CHEMBL1809172 OBDepict CH 3 S N N + N O _ O NH IC50 = 480.0 nM 366.45 CSc1nn(-c2ccc([N+](=O)[O-])cc2)c2cc(C3=CCNCC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL3666170 OBDepict NH 2 N O N N S H 3 C IC50 = 480.0 nM 392.53 CSc1nn(-c2ccccc2)c2cc(C3=CCN(C(=O)CCN)CC3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL2017224 OBDepict Cl N H N N N N N NH NH IC50 = 540.0 nM 410.91 Clc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 Homo sapiens CHEMBL2019654 cell-based format
CHEMBL3666074 OBDepict CH 3 S N N N HN IC50 = 540.0 nM 338.48 CSc1nn(-c2ccccc2)c2cc(N3CCCNCC3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL3666077 OBDepict H 3 C S N N N N NH IC50 = 560.0 nM 379.53 CSc1nn(-c2ccccc2)c2cc(N3CC(N4CCNCC4)C3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL1809178 OBDepict H 3 C N N N N NH IC50 = 560.0 nM 389.55 CCc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL1809151 OBDepict CH 3 S N N N HN IC50 = 560.0 nM 324.45 CSc1nn(-c2ccccc2)c2cc(N3CCNCC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL3666081 OBDepict CH 3 S N N N N HN IC50 = 560.0 nM 393.56 CSc1nn(-c2ccccc2)c2cc(N3CCC(N4CCNCC4)C3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL1809177 OBDepict CH 3 N N N HN IC50 = 570.0 nM 306.41 CCc1nn(-c2ccccc2)c2cc(N3CCNCC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL1809182 OBDepict CH 3 N N N N H IC50 = 590.0 nM 332.45 CCc1nn(-c2ccccc2)c2cc(N3CC4CNCC4C3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL1809158 OBDepict H 3 C S N N NH O NH IC50 = 590.0 nM 352.46 CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCNC3)ccc12 Homo sapiens CHEMBL1810789 single protein format
CHEMBL3666180 OBDepict CH 3 S N N N H HN IC50 = 600.0 nM 366.53 CSc1nn(-c2ccccc2)c2cc(NCCC3CCNCC3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL3666143 OBDepict OH N CH 3 N N N HN IC50 = 600.0 nM 399.5 Cc1nn(-c2ccccc2)c2nc(-c3ccc(N4CCNCC4)cc3)cc(CO)c12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL3666186 OBDepict H 3 C S N N HN IC50 = 610.0 nM 335.48 CSc1nn(-c2ccccc2)c2cc(/C=C/C3CCCN3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL3666181 OBDepict CH 3 S N N HN O F HN IC50 = 660.0 nM 384.48 CSc1nn(-c2ccccc2)c2cc(NC(=O)C3(F)CCNCC3)ccc12 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL3666147 OBDepict CH 3 O N N N CH 3 N N H 3 C IC50 = 660.0 nM 441.58 CCOc1cc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1c(CC)nn2-c1ccccc1 Homo sapiens CHEMBL3705469 organism-based format
CHEMBL4063606 OBDepict N N N N F F F H H 3 C OH IC50 = 670.0 nM 310.28 C[C@]1(O)CCN(c2c(C#N)c(C(F)(F)F)nc3cc[nH]c23)C1 Homo sapiens CHEMBL4019532 assay format