Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Folylpolyglutamate synthase, mitochondrial' and Ligand = 'BDBM50054214'   

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
Folylpolyglutamate synthase, mitochondrial (Homo sapiens (Human))	BDBM50054214 (2-{4-[(2-Amino-4-hydroxy-pteridin-6-ylmethyl)-amin...) Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NC(Cc3cnc[nH]3)C(O)=O)nc2c(=O)[nH]1 Show InChI InChI=1S/C20H19N9O4/c21-20-28-16-15(18(31)29-20)26-13(8-24-16)7-23-11-3-1-10(2-4-11)17(30)27-14(19(32)33)5-12-6-22-9-25-12/h1-4,6,8-9,14,23H,5,7H2,(H,22,25)(H,27,30)(H,32,33)(H3,21,24,28,29,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Folyl-polyglutamate synthase from CCRF-CEM human leukemia cells.				J Med Chem 39: 4340-4 (1996) Article DOI: 10.1021/jm960250j BindingDB Entry DOI: 10.7270/Q2JH3K8H
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