Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease [D459Y,K653P]' and Ligand = 'BDBM123736'   

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))	BDBM123736 (2-(4-Fluorophenyl)amino-5-(1-(4-methylphenoxy)prop...) Show SMILES CCC(Oc1ccc(C)cc1)c1nnc(Nc2ccc(F)cc2)o1 Show InChI InChI=1S/C18H18FN3O2/c1-3-16(23-15-10-4-12(2)5-11-15)17-21-22-18(24-17)20-14-8-6-13(19)7-9-14/h4-11,16H,3H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.42E+3	n/a	n/a	n/a	n/a	n/a	30
Mirpur University of Science and Technology (MUST)					Assay Description The assay mixture contained 40 uL of reaction buffer (100 mM urea, 0.01 M K2HPO4, 1 mM EDTA, and 0.01 M LiCl2, pH 8.2), 10 uL of urease (5 U/mL) and ...				Chem Biol Drug Des 84: 92-8 (2014) Article DOI: 10.1111/cbdd.12297 BindingDB Entry DOI: 10.7270/Q2SB44F6
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