Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM227560'   

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))	BDBM227560 (Diethyl-3-cyano-1-phenylpropylphosphate (3a)) Show SMILES CCOP(=O)(OCC)OC(CCC#N)c1ccccc1 Show InChI InChI=1S/C14H20NO4P/c1-3-17-20(16,18-4-2)19-14(11-8-12-15)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.81E+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