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P27987 | IP3KB_HUMAN | Inositol-trisphosphate 3-kinase B (ITPKB)

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
CHEMBL3716876 OBDepict H N N N N O O N H N O F F F IC50 < 500.0 nM 472.43 O=c1[nH]c(=O)c2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2o1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3715760 OBDepict O O NH CH 3 H 3 C N N H N N H CH 3 N F F F IC50 < 500.0 nM 500.53 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)C(C)(C)NC(=O)O3)CCN1c1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3716095 OBDepict N N N H H 3 C N N N H O N H O IC50 < 500.0 nM 429.48 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C#N)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3718093 OBDepict O NH O N N H N N H CH 3 N Cl IC50 < 500.0 nM 438.92 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(Cl)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3718704 OBDepict O NH O N N H N H N O HO N F F F IC50 < 500.0 nM 502.45 O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)C[C@H]3C(=O)O)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3715999 OBDepict OH H N N N N N H F F F O N H O IC50 < 500.0 nM 488.47 O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)C[C@H]3CO)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3715575 OBDepict F H N N N N N H F F F O N H O IC50 < 500.0 nM 490.46 O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)C[C@H]3CF)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3718520 OBDepict O NH O N N H N N H CH 3 F F F IC50 < 500.0 nM 471.48 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3715847 OBDepict O NH O N N H N N H CH 3 F IC50 < 500.0 nM 435.5 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1Cc1ccccc1F Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3717156 OBDepict O NH O N N H N N H CH 3 Cl IC50 < 500.0 nM 437.93 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(Cl)cc1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3717784 OBDepict O NH O N N H N N N F F F IC50 < 500.0 nM 484.48 O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)C4(CC4)C3)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3719072 OBDepict O NH N H N N H N N H CH 3 N F F F IC50 < 500.0 nM 471.49 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)N3)CCN1c1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3718060 OBDepict O HN O N N H N N H H 3 C F F F IC50 < 500.0 nM 471.48 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3718435 OBDepict O N H N N H N N N F F F IC50 < 500.0 nM 470.5 O=C1Cc2ccc(-c3n[nH]cc3CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)cc2CN1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3719002 OBDepict O HN O N N H N N N F F F IC50 < 500.0 nM 472.47 O=C1NCc2cc(-c3n[nH]cc3CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3715530 OBDepict H N N N N H H 3 C O O N H N O F F F IC50 < 500.0 nM 486.45 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3oc(=O)[nH]c(=O)c3c2)CCN1c1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3718762 OBDepict H N N N N H H 3 C O O N H N O F F F IC50 < 500.0 nM 486.45 C[C@H]1CN(Cc2c[nH]nc2-c2ccc3oc(=O)[nH]c(=O)c3c2)CCN1c1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3715576 OBDepict O NH O N N H N N H CH 3 N F F F IC50 < 500.0 nM 472.47 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3715392 OBDepict H N N N O N N H CH 3 H O N F F F IC50 < 500.0 nM 458.44 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3[nH]c(=O)oc3c2)CCN1c1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3718172 OBDepict O NH O N N H N N F F F N F F F IC50 < 500.0 nM 526.44 O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)C(C(F)(F)F)C3)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3718630 OBDepict O NH O N N H N N N F F F IC50 < 500.0 nM 458.44 O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3718870 OBDepict H N N N N O H N H CH 3 O N F F F IC50 < 500.0 nM 458.44 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3oc(=O)[nH]c3c2)CCN1c1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3716203 OBDepict O NH O N N H N N H CH 3 N F F F IC50 < 500.0 nM 484.48 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)C(=O)NC(=O)C3)CCN1c1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3715628 OBDepict O HN O N N H N N N F F F IC50 < 500.0 nM 470.46 O=C1NCc2cc(-c3n[nH]cc3CN3C4CC3CN(c3ccc(C(F)(F)F)cn3)C4)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3717344 OBDepict O NH N N H N N H CH 3 N F F F IC50 < 500.0 nM 470.5 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)C3)CCN1c1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3715695 OBDepict O NH O N N H N N F F F N F F F IC50 < 500.0 nM 526.44 O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)CC3C(F)(F)F)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3715243 OBDepict H N N N N O O N H N O F F F IC50 < 500.0 nM 498.47 O=c1[nH]c(=O)c2cc(-c3n[nH]cc3CN3C4CCC3CN(c3ccc(C(F)(F)F)cn3)C4)ccc2o1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3718903 OBDepict F H N N N N N H F F F O N H O IC50 < 500.0 nM 490.46 O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](CF)C3)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3717640 OBDepict H N N N N O O N H O CH 3 CH 3 IC50 < 500.0 nM 431.5 Cc1cccc(N2CCN(Cc3c[nH]nc3-c3ccc4oc(=O)[nH]c(=O)c4c3)CC2)c1C Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3714851 OBDepict O O N H N N H N N N F F F IC50 < 500.0 nM 458.44 O=C1CNc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3718709 OBDepict H N N N O N N H O CH 3 CH 3 IC50 < 500.0 nM 403.49 Cc1cccc(N2CCN(Cc3c[nH]nc3-c3ccc4[nH]c(=O)oc4c3)CC2)c1C Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3716449 OBDepict O NH O N N H N N H F F F N F F F IC50 < 500.0 nM 526.44 O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](C(F)(F)F)C3)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3717225 OBDepict O NH O N N H N N H F F F N F F F IC50 < 500.0 nM 526.44 O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@@H](C(F)(F)F)C3)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3716969 OBDepict N N N H H 3 C N N N H O N H O IC50 < 500.0 nM 429.48 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1cc(C#N)ccn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3719211 OBDepict HO H N N N N N H F F F O N H O IC50 < 500.0 nM 488.47 O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](CO)C3)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3715353 OBDepict O HN O N N H N N N F F F IC50 < 500.0 nM 484.48 O=C1NCc2cc(-c3n[nH]cc3CN3C4CCC3CN(c3ccc(C(F)(F)F)cn3)C4)ccc2O1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3716086 OBDepict H N N N O N N H CH 3 H O N F F F IC50 < 500.0 nM 458.44 C[C@H]1CN(Cc2c[nH]nc2-c2ccc3[nH]c(=O)oc3c2)CCN1c1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3719170 OBDepict O HN O N N H N N H H 3 C N N F F F IC50 < 500.0 nM 473.46 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1nccc(C(F)(F)F)n1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3718179 OBDepict O HN O N N H N N H CH 3 N CH 3 IC50 < 500.0 nM 418.5 Cc1ccc(N2CCN(Cc3c[nH]nc3-c3ccc4c(c3)CNC(=O)O4)C[C@H]2C)nc1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3714983 OBDepict O NH O N N H N N H CH 3 N F F F IC50 < 500.0 nM 472.47 C[C@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3719189 OBDepict O NH O N N H N N H CH 3 IC50 < 500.0 nM 409.53 C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1C1CCCCC1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3716814 OBDepict O NH O N N N H N N H CH 3 N F F F IC50 < 500.0 nM 473.46 C[C@@H]1CN(Cc2n[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL3721068 cell-based format
CHEMBL3719050 OBDepict O HN N H N N H N N N F F F IC50 < 500.0 nM 471.49 O=C1NCc2cc(-c3n[nH]cc3CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2N1 Homo sapiens CHEMBL3721068 cell-based format