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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cocaine esterase' and Ligand = 'BDBM50409657'   
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
Cocaine esterase


(Homo sapiens (Human))		BDBM50409657
PNG
(CHEMBL153015)
Show SMILES CCCCCCCC(F)(F)C(=O)C(F)(F)F
Show InChI InChI=1S/C10H15F5O/c1-2-3-4-5-6-7-9(11,12)8(16)10(13,14)15/h2-7H2,1H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 32.4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of carboxylesterase in human liver microsomes.

J Med Chem 45: 5576-93 (2002)


BindingDB Entry DOI: 10.7270/Q2DN4671
More data for this
Ligand-Target Pair