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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 = 'BDBM50211243'   
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))		BDBM50211243
PNG
(3-dimethylamino-N-(7-oxo-7H-1-aza-benzo[de]anthrac...)
Show SMILES CN(C)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C21H19N3O2/c1-24(2)11-9-18(25)23-14-6-7-15-17(12-14)21(26)16-5-3-4-13-8-10-22-20(15)19(13)16/h3-8,10,12H,9,11H2,1-2H3,(H,23,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.95E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE

Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair