Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM246472'   

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))	BDBM246472 (4-(9-Methyl-9H-carbazol-3-yl)-6-(2,4,6-trimethoxyp...) Show SMILES COc1cc(OC)c(c(OC)c1)-c1cc(nc(N)n1)-c1ccc2n(C)c3ccccc3c2c1 Show InChI InChI=1S/C26H24N4O3/c1-30-21-8-6-5-7-17(21)18-11-15(9-10-22(18)30)19-14-20(29-26(27)28-19)25-23(32-3)12-16(31-2)13-24(25)33-4/h5-14H,1-4H3,(H2,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.37E+4	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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