Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM246471'   

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))	BDBM246471 (4-(3,4-Dimethoxyphenyl)-6-(9-methyl-9H-carbazol-3-...) Show SMILES COc1ccc(cc1OC)-c1cc(nc(N)n1)-c1ccc2n(C)c3ccccc3c2c1 Show InChI InChI=1S/C25H22N4O2/c1-29-21-7-5-4-6-17(21)18-12-15(8-10-22(18)29)19-14-20(28-25(26)27-19)16-9-11-23(30-2)24(13-16)31-3/h4-14H,1-3H3,(H2,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.07E+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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