Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'L-lactate dehydrogenase A chain' and Ligand = 'BDBM50536272'   

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))	BDBM50536272 (CHEMBL4592261) Show SMILES COc1ccc(cc1)-c1cc(-c2ccc(OC)cc2)c(C#N)c(SCC(=O)Nc2c(C)cccc2C)n1 Show InChI InChI=1S/C30H27N3O3S/c1-19-6-5-7-20(2)29(19)33-28(34)18-37-30-26(17-31)25(21-8-12-23(35-3)13-9-21)16-27(32-30)22-10-14-24(36-4)15-11-22/h5-16H,18H2,1-4H3,(H,33,34)	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	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Heilongjiang Province Hospital Curated by ChEMBL					Assay Description Inhibition of human LDHA assessed as conversion of pyruvate to lactate measuring disappearance of NADH after 10 mins by fluorescence assay				Bioorg Med Chem Lett 26: 3984-7 (2016) Article DOI: 10.1016/j.bmcl.2016.06.083 BindingDB Entry DOI: 10.7270/Q2VD72ZJ
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