Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inositol-trisphosphate 3-kinase A' and Ligand = 'BDBM50221514'   

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-trisphosphate 3-kinase A (Rattus norvegicus)	BDBM50221514 (CHEMBL3351092) 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 |r| 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)/t1-,2-,3-,4+,5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pohang University of Science & Technology Curated by ChEMBL					Assay Description Binding affinity of the compound against recombinant plasmid rat brain IP3K by overexpressing in E. coli				Bioorg Med Chem Lett 13: 2981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FQ9W02
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