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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 = 'BDBM50000280'   
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))
BDBM50000280
PNG
(2-(3,4-Dichloro-phenyl)-1-[2-(4-methylene-piperidi...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCC(=C)CC2)cc1Cl
Show InChI InChI=1S/C20H26Cl2N2O/c1-15-7-10-23(11-8-15)14-17-4-2-3-9-24(17)20(25)13-16-5-6-18(21)19(22)12-16/h5-6,12,17H,1-4,7-11,13-14H2
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Similars

PubMed
n/an/a 550n/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