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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM226133'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM226133
PNG
(1-Benzyl-2,2-diethyl-2,3-dihydro-1H-quinazolin-4-o...)
Show SMILES CCC1(CC)NC(=O)c2ccccc2N1Cc1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-3-19(4-2)20-18(22)16-12-8-9-13-17(16)21(19)14-15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3,(H,20,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.50E+3n/an/an/an/a8.030



University of Sargodha



Assay Description
AChE and BChE inhibitory assay was carried out by following Ellman's methodology [Ellman et al., Biochem. Pharmacol., 7:88-95] using AChE (Electric e...

Bioorg Chem 72: 256-267 (2017)


BindingDB Entry DOI: 10.7270/Q23B5Z1X
More data for this
Ligand-Target Pair