Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease [D459Y,K653P]' and Ligand = 'BDBM110169'   

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
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110169 (Ethyl 4-[3-(4-methoxybenzoyl)thioureido]benzoate (...) Show SMILES CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C18H18N2O4S/c1-3-24-17(22)13-4-8-14(9-5-13)19-18(25)20-16(21)12-6-10-15(23-2)11-7-12/h4-11H,3H2,1-2H3,(H2,19,20,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	8.2	37
Quaid-I-Azam University, Islamabad, Pakistan.					Assay Description The assay mixture contained 40 µL of buffer (0.01 M LiCl2, 1 mM EDTA, 0.01M K2HPO4, pH 8.2) containing 100 mM urea, 10 µL of enzyme (5U/mL)...				Bioorg Chem 52: 1-7 (2014) Article DOI: 10.1016/j.bioorg.2013.10.001 BindingDB Entry DOI: 10.7270/Q2X34W43
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