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BDBM50092513 3-((4-Chloro-phenyl)-{[(4-chloro-phenyl)-ethoxycarbonyl-methyl]-methyl-amino}-methyl)-1-methyl-4-oxo-piperidine-3-carboxylic acid ethyl ester::CHEMBL366367

SMILES: CCOC(=O)C12CN(C)CC(C(N(C)C1c1ccc(Cl)cc1)c1ccc(Cl)cc1)(C(=O)OCC)C2=O

InChI Key: InChIKey=QRAPNWUNVRQZHN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50092513   
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))
BDBM50092513
PNG
(3-((4-Chloro-phenyl)-{[(4-chloro-phenyl)-ethoxycar...)
Show SMILES CCOC(=O)C12CN(C)CC(C(N(C)C1c1ccc(Cl)cc1)c1ccc(Cl)cc1)(C(=O)OCC)C2=O |TLB:13:12:34:7.9.6,15:14:34:7.9.6,22:11:34:7.9.6|
Show InChI InChI=1S/C27H30Cl2N2O5/c1-5-35-24(33)26-15-30(3)16-27(23(26)32,25(34)36-6-2)22(18-9-13-20(29)14-10-18)31(4)21(26)17-7-11-19(28)12-8-17/h7-14,21-22H,5-6,15-16H2,1-4H3
PDB

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PC cid
PC sid
UniChem
PubMed
1.98E+3n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition against [3H]-diprenorphine human Opioid receptor kappa 1


J Med Chem 43: 3746-51 (2000)


BindingDB Entry DOI: 10.7270/Q2H41QPP
More data for this
Ligand-Target Pair