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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50000276'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000276
PNG
((1-{1-[2-(3,4-Dichloro-phenyl)-acetyl]-piperidin-2...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CC\C(C2)=C/C#N)cc1Cl
Show InChI InChI=1S/C20H23Cl2N3O/c21-18-5-4-16(11-19(18)22)12-20(26)25-9-2-1-3-17(25)14-24-10-7-15(13-24)6-8-23/h4-6,11,17H,1-3,7,9-10,12-14H2/b15-6+
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Similars
PubMed
n/an/a 690n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency of the compound was determined in vitro using rabbit vas deferens(LVD) preparation

J Med Chem 35: 490-501 (1992)


BindingDB Entry DOI: 10.7270/Q2TQ60GV
More data for this
Ligand-Target Pair