Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM50488916'   

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))	BDBM50488916 (CHEMBL2298028) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H11ClN4O5S2/c15-8-1-6-11(12(7-8)19(21)22)13(20)18-14(25)17-9-2-4-10(5-3-9)26(16,23)24/h1-7H,(H2,16,23,24)(H2,17,18,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	5.59E+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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