Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Malate dehydrogenase' and Ligand = 'BDBM50044971'   

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)	BDBM50044971 (CHEMBL3309760) Show SMILES Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4cccc(O)c4O)C3=O)cc2)cc1 Show InChI InChI=1S/C25H20N2O5S2/c1-15-5-9-18(10-6-15)32-19-11-7-17(8-12-19)26-22(29)14-27-24(31)21(34-25(27)33)13-16-3-2-4-20(28)23(16)30/h2-13,28,30H,14H2,1H3,(H,26,29)/b21-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg/CNRS Curated by ChEMBL					Assay Description Inhibition of Thermus flavus MDH pre-incubated for 4 mins before reaction initiation in presence of OAA and NAPH in absence of 0.01% Triton X100 by U...				Bioorg Med Chem 22: 3713-9 (2014) Article DOI: 10.1016/j.bmc.2014.05.004 BindingDB Entry DOI: 10.7270/Q2057HKT
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