Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Urease [D459Y,K653P]' and Ligand = 'BDBM110174'   

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))	BDBM110174 ((2-chlorophenyl)thiourea | Thiourea) Show SMILES NC(=S)Nc1ccccc1Cl Show InChI InChI=1S/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03E+4	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
					More data for this Ligand-Target Pair
Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean))	BDBM110174 ((2-chlorophenyl)thiourea | Thiourea) Show SMILES NC(=S)Nc1ccccc1Cl Show InChI InChI=1S/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	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
					More data for this Ligand-Target Pair