Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM85754'   

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))	BDBM85754 (Dicoumarol derivative, 7) Show SMILES Oc1c(C(c2ccncc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C24H15NO6/c26-21-14-5-1-3-7-16(14)30-23(28)19(21)18(13-9-11-25-12-10-13)20-22(27)15-6-2-4-8-17(15)31-24(20)29/h1-12,18,26-27H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.89E+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
Urease (Canavalia ensiformis (Jack bean) (Horse bean))	BDBM85754 (Dicoumarol derivative, 7) Show SMILES Oc1c(C(c2ccncc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12 Show InChI InChI=1S/C24H15NO6/c26-21-14-5-1-3-7-16(14)30-23(28)19(21)18(13-9-11-25-12-10-13)20-22(27)15-6-2-4-8-17(15)31-24(20)29/h1-12,18,26-27H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.53E+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