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BDBM50045188 4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-(3-methoxycarbonylmethylene-pyrrolidin-1-ylmethyl)-piperazine-1-carboxylic acid methyl ester::CHEMBL293408

SMILES: COC(=O)\C=C1/CCN(CC2CN(CCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)OC)C1

InChI Key: InChIKey=CCBLOJDTYGWQLE-LFIBNONCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50045188   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50045188
PNG
(4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-(3-methoxycar...)
Show SMILES COC(=O)\C=C1/CCN(CC2CN(CCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)OC)C1
Show InChI InChI=1S/C22H27Cl2N3O5/c1-31-21(29)11-16-5-6-25(12-16)13-17-14-26(22(30)32-2)7-8-27(17)20(28)10-15-3-4-18(23)19(24)9-15/h3-4,9,11,17H,5-8,10,12-14H2,1-2H3/b16-11+
PDB

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Similars

Article
PubMed
n/an/a 4n/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)


Article DOI: 10.1021/jm00067a004
BindingDB Entry DOI: 10.7270/Q2D50NKJ
More data for this
Ligand-Target Pair