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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 = 'BDBM50000269'   
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))		BDBM50000269
PNG
(1-[2-(3,4-Dichloro-phenyl)-acetyl]-6-pyrrolidin-1-...)
Show SMILES COC(=O)[C@H]1CC[C@@H](CN2CCCC2)N(C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H26Cl2N2O3/c1-27-20(26)15-5-6-16(13-23-8-2-3-9-23)24(12-15)19(25)11-14-4-7-17(21)18(22)10-14/h4,7,10,15-16H,2-3,5-6,8-9,11-13H2,1H3/t15-,16-/m0/s1
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Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 1 agonist potency 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