Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Malate dehydrogenase' and Ligand = 'BDBM50126827'   

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
Malate dehydrogenase (Thermus thermophilus)	BDBM50126827 (4-(1-Hydroxy-naphthalen-2-ylazo)-naphthalene-1-sul...) Show SMILES Oc1c(ccc2ccccc12)N=Nc1ccc(c2ccccc12)S([O-])(=O)=O |w:11.12| Show InChI InChI=1S/C20H14N2O4S/c23-20-14-6-2-1-5-13(14)9-10-18(20)22-21-17-11-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
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