Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1)'   

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-pentakisphosphate 2-kinase (Arabidopsis thaliana (Mouse-ear cress))	BDBM213228 (Inositol 1,3,4,5,6-pentakisphosphate (IP5)) Show SMILES O[C@@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O Show InChI InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/p-10/t1-,2+,3-,4-,5+,6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	600	n/a	n/a	n/a	7.5	25
McGill University					Assay Description Experiments were performed on a MicroCal iTC200 titration calorimeter (GE Healthcare). Wild-type IPK1 was purified and dialyzed into ITC buffer conta...				J Biol Chem 288: 26908-13 (2013) Article DOI: 10.1074/jbc.M113.487777 BindingDB Entry DOI: 10.7270/Q2QC02B7
					More data for this Ligand-Target Pair
Inositol-pentakisphosphate 2-kinase (Arabidopsis thaliana (Mouse-ear cress))	BDBM213229 (1,3,4,6-Inositol tetrakisphosphate (1,3,4,6-IP4)) Show SMILES O[C@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O Show InChI InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-8/t1-,2+,3-,4+,5-,6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.69E+4	n/a	n/a	n/a	7.5	25
McGill University					Assay Description Experiments were performed on a MicroCal iTC200 titration calorimeter (GE Healthcare). Wild-type IPK1 was purified and dialyzed into ITC buffer conta...				J Biol Chem 288: 26908-13 (2013) Article DOI: 10.1074/jbc.M113.487777 BindingDB Entry DOI: 10.7270/Q2QC02B7
					More data for this Ligand-Target Pair
Inositol-pentakisphosphate 2-kinase (Arabidopsis thaliana (Mouse-ear cress))	BDBM213232 (1,3,4,5-Inositol tetrakisphosphate (1,3,4,5-IP4)) Show SMILES O[C@H]1[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O Show InChI InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-8/t1-,2-,3-,4+,5-,6-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.82E+4	n/a	n/a	n/a	7.5	25
McGill University					Assay Description Experiments were performed on a MicroCal iTC200 titration calorimeter (GE Healthcare). Wild-type IPK1 was purified and dialyzed into ITC buffer conta...				J Biol Chem 288: 26908-13 (2013) Article DOI: 10.1074/jbc.M113.487777 BindingDB Entry DOI: 10.7270/Q2QC02B7
					More data for this Ligand-Target Pair
Inositol-pentakisphosphate 2-kinase (Arabidopsis thaliana (Mouse-ear cress))	BDBM213231 (3,4,5,6-Inositol tetrakisphosphate (3,4,5,6-IP4)) Show SMILES O[C@H]1[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O Show InChI InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-8/t1-,2+,3-,4-,5+,6+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.52E+3	n/a	n/a	n/a	7.5	25
McGill University					Assay Description Experiments were performed on a MicroCal iTC200 titration calorimeter (GE Healthcare). Wild-type IPK1 was purified and dialyzed into ITC buffer conta...				J Biol Chem 288: 26908-13 (2013) Article DOI: 10.1074/jbc.M113.487777 BindingDB Entry DOI: 10.7270/Q2QC02B7
					More data for this Ligand-Target Pair
Inositol-pentakisphosphate 2-kinase (Arabidopsis thaliana (Mouse-ear cress))	BDBM213230 (1,4,5,6-Inositol tetrakisphosphate (1,4,5,6-IP4)) Show SMILES O[C@H]1[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O Show InChI InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-8/t1-,2+,3-,4-,5+,6+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.20E+3	n/a	n/a	n/a	7.5	25
McGill University					Assay Description Experiments were performed on a MicroCal iTC200 titration calorimeter (GE Healthcare). Wild-type IPK1 was purified and dialyzed into ITC buffer conta...				J Biol Chem 288: 26908-13 (2013) Article DOI: 10.1074/jbc.M113.487777 BindingDB Entry DOI: 10.7270/Q2QC02B7
					More data for this Ligand-Target Pair