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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 = 'BDBM50261258'   
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))		BDBM50261258
PNG
(CHEMBL469013 | N-(7,8,9,10,11,12-hexahydroazonino[...)
Show SMILES C(\N=c1/n2CCCCCCCc2nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H25N3/c1-2-7-15-21-24-20-14-9-8-13-19(20)22(25(21)16-10-3-1)23-17-18-11-5-4-6-12-18/h4-6,8-9,11-14H,1-3,7,10,15-17H2/b23-22-
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Friedrich-Schiller-Universität Jena

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's assay

Bioorg Med Chem 16: 4252-61 (2008)


Article DOI: 10.1016/j.bmc.2008.02.083
BindingDB Entry DOI: 10.7270/Q2Q81CV1
More data for this
Ligand-Target Pair