Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM246469'   

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))	BDBM246469 (4-(9-Methyl-9H-carbazol-3-yl)-6-phenylpyrimidin-2-...) Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1cc(nc(N)n1)-c1ccccc1 Show InChI InChI=1S/C23H18N4/c1-27-21-10-6-5-9-17(21)18-13-16(11-12-22(18)27)20-14-19(25-23(24)26-20)15-7-3-2-4-8-15/h2-14H,1H3,(H2,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	6.8	30
Solapur University					Assay Description Mixture of 25 μL of urease enzyme (Jack bean) solution containing 1 unit of enzyme (1 unit = 0.02 mg of enzyme) was dissolved in phosphate buffe...				J Enzyme Inhib Med Chem 28: 1316-23 (2013) Article DOI: 10.3109/14756366.2012.740477 BindingDB Entry DOI: 10.7270/Q2J965BH
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