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BDBM50092514 3-{[(Methoxycarbonyl-m-tolyl-methyl)-methyl-amino]-m-tolyl-methyl}-1-methyl-4-oxo-piperidine-3-carboxylic acid methyl ester::CHEMBL179350

SMILES: COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(C)c1)c1cccc(C)c1)(C(=O)OC)C2=O

InChI Key: InChIKey=AVWRCQVFTFTWCN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50092514   
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))
BDBM50092514
PNG
(3-{[(Methoxycarbonyl-m-tolyl-methyl)-methyl-amino]...)
Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1cccc(C)c1)c1cccc(C)c1)(C(=O)OC)C2=O |TLB:12:11:32:6.5.8,21:10:32:6.5.8,14:13:32:6.5.8|
Show InChI InChI=1S/C27H32N2O5/c1-17-9-7-11-19(13-17)21-26(24(31)33-5)15-28(3)16-27(23(26)30,25(32)34-6)22(29(21)4)20-12-8-10-18(2)14-20/h7-14,21-22H,15-16H2,1-6H3
PDB

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PC cid
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820n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition against [3H]-CI 977 rat Opioid receptor kappa 1 at 10 micromol/L


J Med Chem 43: 3746-51 (2000)


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