Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pyruvate kinase' and Ligand = 'BDBM50270343'   

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
Pyruvate kinase (Leishmania mexicana)	BDBM50270343 ((2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((S)-1-(naphtha...) Show SMILES C[C@H](NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C18H23NO4/c1-11(13-7-6-12-4-2-3-5-14(12)8-13)19-9-15-17(21)18(22)16(10-20)23-15/h2-8,11,15-22H,9-10H2,1H3/t11-,15+,16+,17+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Edinburgh Curated by ChEMBL					Assay Description Inhibition of Leishmania mexicana pyruvate kinase				Bioorg Med Chem 16: 5050-61 (2008) Article DOI: 10.1016/j.bmc.2008.03.045 BindingDB Entry DOI: 10.7270/Q21J99JR
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