Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'Inositol polyphosphate multikinase'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Inositol polyphosphate multikinase (Homo sapiens)	BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inositol polyphosphate multikinase (Homo sapiens)	BDBM23409 (3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...) Show SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inositol polyphosphate multikinase (Homo sapiens)	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inositol polyphosphate multikinase (Homo sapiens)	BDBM7462 (3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...) Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inositol polyphosphate multikinase (Homo sapiens)	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inositol polyphosphate multikinase (Homo sapiens)	BDBM23414 (5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chr...) Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inositol polyphosphate multikinase (Homo sapiens)	BDBM23410 (2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...) Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inositol polyphosphate multikinase (Homo sapiens)	BDBM7458 (5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair
Inositol polyphosphate multikinase (Homo sapiens)	BDBM50445691 (CHEMBL243677) Show SMILES Oc1ccc(cc1O)-c1cc(O)c2c(cccc2=O)o1 Show InChI InChI=1S/C15H10O5/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,16,18-19H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair
Inositol polyphosphate multikinase (Homo sapiens)	BDBM50325671 ((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...) Show SMILES Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair
Inositol polyphosphate multikinase (Homo sapiens)	BDBM76563 (2-(4-hydroxyphenyl)-6-oxidanyl-chromen-4-one | 6-h...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1 Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8,16-17H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair
Inositol polyphosphate multikinase (Homo sapiens)	BDBM23415 (5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...) Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair
Inositol polyphosphate multikinase (Homo sapiens)	BDBM50157555 (2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair
Inositol polyphosphate multikinase (Homo sapiens)	BDBM23419 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...) Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair
Inositol polyphosphate multikinase (Homo sapiens)	BDBM50077323 (7,4'-Dihydroxyflavone | 7-hydroxy-2-(4-hydroxyphen...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1 Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair
Inositol polyphosphate multikinase (Homo sapiens)	BDBM50187658 (4',5-dihydroxy-7-methoxy flavone | 4',5-dihydroxy-...) Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1 Show InChI InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair
Inositol polyphosphate multikinase (Homo sapiens)	BDBM50025457 (5,4''-Dihydroxyflavone | CHEMBL484662) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cccc2o1 Show InChI InChI=1S/C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,16-17H	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay				J Med Chem 62: 1443-1454 (2019) Article DOI: 10.1021/acs.jmedchem.8b01593 BindingDB Entry DOI: 10.7270/Q2FF3WRW
					More data for this Ligand-Target Pair