Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM50488923'   

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 (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM50488923 (CHEMBL2298031) Show SMILES CCC(CC(=O)NC(=S)Nc1ccc(cc1)S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C18H21N3O3S2/c1-2-13(14-6-4-3-5-7-14)12-17(22)21-18(25)20-15-8-10-16(11-9-15)26(19,23)24/h3-11,13H,2,12H2,1H3,(H2,19,23,24)(H2,20,21,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Canavalia ensiformis (jack bean) urease assessed as release of ammonia after 30 min by indophenol method				Citation and Details Article DOI: 10.1007/s00044-012-0376-4 BindingDB Entry DOI: 10.7270/Q2P84FT7
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