Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM91641'   

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))	BDBM91641 (Dihydro-1,5-benzothiazepine analog, 3) Show SMILES Cc1ccc(cc1)C1CC(=Nc2ccccc2S1)c1ccccc1 |c:10| Show InChI InChI=1S/C22H19NS/c1-16-11-13-18(14-12-16)22-15-20(17-7-3-2-4-8-17)23-19-9-5-6-10-21(19)24-22/h2-14,22H,15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University					Assay Description In vitro inhibition assay using jack bean urease.				J Enzyme Inhib Med Chem 24: 151-6 (2009) Article DOI: 10.1080/14756360801945598 BindingDB Entry DOI: 10.7270/Q29022CX
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