Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM227565'   

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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM227565 (Dimethyl-3-cyano-1-(4-methoxyphenyl)propylphosphat...) Show SMILES COc1ccc(cc1)C(CCC#N)OP(=O)(OC)OC Show InChI InChI=1S/C13H18NO5P/c1-16-12-8-6-11(7-9-12)13(5-4-10-14)19-20(15,17-2)18-3/h6-9,13H,4-5H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Carthage					Assay Description The eight synthesized dialkyl-3-cyanopropylphosphates (3a-h) were dissolved in0.01 M dimethyl sulphoxide and then diluted in demineralized water to 1...				Bioorg Chem 72: 301-307 (2017) BindingDB Entry DOI: 10.7270/Q21G0K51
					More data for this Ligand-Target Pair