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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 = 'BDBM50045183'   
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))
BDBM50045183
PNG
(4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-...)
Show SMILES Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C=O)cc1Cl
Show InChI InChI=1S/C18H23Cl2N3O2/c19-16-4-3-14(9-17(16)20)10-18(25)23-8-7-22(13-24)12-15(23)11-21-5-1-2-6-21/h3-4,9,13,15H,1-2,5-8,10-12H2
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PubMed
n/an/a 15n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
In vitro agonist activity at kappa opioid receptor in rabbit vas deferens.


J Med Chem 36: 2075-83 (1993)


BindingDB Entry DOI: 10.7270/Q2D50NKJ
More data for this
Ligand-Target Pair