Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM85757'   

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))	BDBM85757 (Dicoumarol derivative, 10) Show SMILES Oc1c(C(c2cccc3ccccc23)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C29H18O6/c30-26-19-11-3-5-14-21(19)34-28(32)24(26)23(18-13-7-9-16-8-1-2-10-17(16)18)25-27(31)20-12-4-6-15-22(20)35-29(25)33/h1-15,23,30-31H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.41E+4	n/a	n/a	n/a	n/a	8.2	30
University of Karachi					Assay Description Inhibition assay of enzyme jack bean urease, from Sigma-aldrich.				J Enzyme Inhib Med Chem 19: 367-71 (2004) Article DOI: 10.1080/14756360409162452 BindingDB Entry DOI: 10.7270/Q2PR7TJ5
					More data for this Ligand-Target Pair
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM85757 (Dicoumarol derivative, 10) Show SMILES Oc1c(C(c2cccc3ccccc23)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C29H18O6/c30-26-19-11-3-5-14-21(19)34-28(32)24(26)23(18-13-7-9-16-8-1-2-10-17(16)18)25-27(31)20-12-4-6-15-22(20)35-29(25)33/h1-15,23,30-31H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of jack bean urease				Bioorg Med Chem 16: 3456-61 (2008) Article DOI: 10.1016/j.bmc.2005.09.048 BindingDB Entry DOI: 10.7270/Q2474C5K
					More data for this Ligand-Target Pair