Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'L-lactate dehydrogenase A chain' and Ligand = 'BDBM50144746'   

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))	BDBM50144746 (CHEMBL3764862) Show SMILES OC[C@H]1O[C@@H](On2c(cc3c(cc(cc23)-c2ccccc2)C(F)(F)F)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C22H20F3NO8/c23-22(24,25)13-6-11(10-4-2-1-3-5-10)7-14-12(13)8-15(20(31)32)26(14)34-21-19(30)18(29)17(28)16(9-27)33-21/h1-8,16-19,21,27-30H,9H2,(H,31,32)/t16-,17-,18+,19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-CRO Curated by ChEMBL					Assay Description Competitive inhibition of human LDH5 incubated for 15 mins in presence of NADH by fluorescence analysis				J Med Chem 59: 487-96 (2016) Article DOI: 10.1021/acs.jmedchem.5b00168 BindingDB Entry DOI: 10.7270/Q2B27X41
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