Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM227566'   

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))	BDBM227566 (Diethyl-3-cyano-2-methyl-1-phenylpropylphosphate (...) Show SMILES CCOP(=O)(OCC)OC(C(C)CC#N)c1ccccc1 Show InChI InChI=1S/C15H22NO4P/c1-4-18-21(17,19-5-2)20-15(13(3)11-12-16)14-9-7-6-8-10-14/h6-10,13,15H,4-5,11H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.78E+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