Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease [D459Y,K653P]' and Ligand = 'BDBM152766'   

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))	BDBM152766 ([(E)-{2-[4-(benzyloxy)phenyl]ethylidene}amino]thio...) Show SMILES NC(=S)N\N=C\Cc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C16H17N3OS/c17-16(21)19-18-11-10-13-6-8-15(9-7-13)20-12-14-4-2-1-3-5-14/h1-9,11H,10,12H2,(H3,17,19,21)/b18-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.64E+3	n/a	n/a	n/a	n/a	8.2	n/a
Quaid-I-Azam University					Assay Description Urease inhibition activity was determined by indophenol method. In brief, each 140 µL assay reaction contained 40 µL buffer (100 mM urea, 0.01 mM K2H...				Chem Biol Drug Des 85: 225-30 (2015) Article DOI: 10.1111/cbdd.12379 BindingDB Entry DOI: 10.7270/Q2P55M71
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