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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 = 'BDBM50000261'   
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))		BDBM50000261
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-hydroxymethyl-6-pyrro...)
Show SMILES OC[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O2/c20-17-7-6-14(10-18(17)21)11-19(25)23-15(4-3-5-16(23)13-24)12-22-8-1-2-9-22/h6-7,10,15-16,24H,1-5,8-9,11-13H2/t15-,16+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Opioid receptor kappa 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