Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM246442'   

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))	BDBM246442 (US9447057, 2) Show SMILES C(=N/c1nc(cs1)-c1ccccc1)\c1c[nH]c2ccccc12 Show InChI InChI=1S/C18H13N3S/c1-2-6-13(7-3-1)17-12-22-18(21-17)20-11-14-10-19-16-9-5-4-8-15(14)16/h1-12,19H/b20-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.60E+3	n/a	8.56E+3	n/a	n/a	n/a	n/a	6.8	n/a
TBA US Patent					Assay Description Reaction mixtures consisting of 25 μL (1 unit/well) of Jack bean (Canavalia ensiformis) urease, 55 μL of buffer at pH 6.8, 100 mM of urea, ...				US Patent US9447057 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q2T
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