Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'L-lactate dehydrogenase A chain' and Ligand = 'BDBM50524662'   

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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50524662 (CHEMBL4454634) Show SMILES Cc1ccccc1OCC(=O)NCc1nn(C2CCCC2)c2CCOCc12 Show InChI InChI=1S/C21H27N3O3/c1-15-6-2-5-9-20(15)27-14-21(25)22-12-18-17-13-26-11-10-19(17)24(23-18)16-7-3-4-8-16/h2,5-6,9,16H,3-4,7-8,10-14H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a
Hubei University of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal His-tagged LDHA (1 to 332 residues) expressed in Escherichia coli using sodium pyruvate as sub...				Eur J Med Chem 177: 105-115 (2019) Article DOI: 10.1016/j.ejmech.2019.05.033 BindingDB Entry DOI: 10.7270/Q2HX1H3H
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