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BDBM50000266 1-[2-(3,4-Dichloro-phenyl)-acetyl]-6-pyrrolidin-1-ylmethyl-piperidine-2-carboxylic acid methyl ester::CHEMBL148892

SMILES: COC(=O)[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=NAOJWBQWHLDXAK-MAUKXSAKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000266   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000266
PNG
(1-[2-(3,4-Dichloro-phenyl)-acetyl]-6-pyrrolidin-1-...)
Show SMILES COC(=O)[C@H]1CCC[C@@H](CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H26Cl2N2O3/c1-27-20(26)18-6-4-5-15(13-23-9-2-3-10-23)24(18)19(25)12-14-7-8-16(21)17(22)11-14/h7-8,11,15,18H,2-6,9-10,12-13H2,1H3/t15-,18+/m0/s1
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



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