Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Urease' and Ligand = 'BDBM85750'   

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))	BDBM85750 (Dicoumarol derivative, 1) Show SMILES COc1ccc(cc1OC)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C27H20O8/c1-32-19-12-11-14(13-20(19)33-2)21(22-24(28)15-7-3-5-9-17(15)34-26(22)30)23-25(29)16-8-4-6-10-18(16)35-27(23)31/h3-13,21,28-29H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.83E+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))	BDBM85750 (Dicoumarol derivative, 1) Show SMILES COc1ccc(cc1OC)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C27H20O8/c1-32-19-12-11-14(13-20(19)33-2)21(22-24(28)15-7-3-5-9-17(15)34-26(22)30)23-25(29)16-8-4-6-10-18(16)35-27(23)31/h3-13,21,28-29H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+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