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BDBM50314883 CHEMBL1089546::N-(3-Methylbenzyl)-N-(1-phenylethylpiperidine-4-yl)propionamide

SMILES: CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1

InChI Key: InChIKey=MZSFZQSYRHNECT-UHFFFAOYSA-N

Data: 3 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50314883   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50314883
PNG
(CHEMBL1089546 | N-(3-Methylbenzyl)-N-(1-phenylethy...)
Show SMILES CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H32N2O/c1-3-24(27)26(19-22-11-7-8-20(2)18-22)23-13-16-25(17-14-23)15-12-21-9-5-4-6-10-21/h4-11,18,23H,3,12-17,19H2,1-2H3
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PC cid
PC sid
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Article
PubMed
96n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50314883
PNG
(CHEMBL1089546 | N-(3-Methylbenzyl)-N-(1-phenylethy...)
Show SMILES CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H32N2O/c1-3-24(27)26(19-22-11-7-8-20(2)18-22)23-13-16-25(17-14-23)15-12-21-9-5-4-6-10-21/h4-11,18,23H,3,12-17,19H2,1-2H3
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PubMed
1.85E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50314883
PNG
(CHEMBL1089546 | N-(3-Methylbenzyl)-N-(1-phenylethy...)
Show SMILES CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H32N2O/c1-3-24(27)26(19-22-11-7-8-20(2)18-22)23-13-16-25(17-14-23)15-12-21-9-5-4-6-10-21/h4-11,18,23H,3,12-17,19H2,1-2H3
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6.82E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50314883
PNG
(CHEMBL1089546 | N-(3-Methylbenzyl)-N-(1-phenylethy...)
Show SMILES CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H32N2O/c1-3-24(27)26(19-22-11-7-8-20(2)18-22)23-13-16-25(17-14-23)15-12-21-9-5-4-6-10-21/h4-11,18,23H,3,12-17,19H2,1-2H3
UniProtKB/SwissProt

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n/an/a 647n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50314883
PNG
(CHEMBL1089546 | N-(3-Methylbenzyl)-N-(1-phenylethy...)
Show SMILES CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H32N2O/c1-3-24(27)26(19-22-11-7-8-20(2)18-22)23-13-16-25(17-14-23)15-12-21-9-5-4-6-10-21/h4-11,18,23H,3,12-17,19H2,1-2H3
PDB

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 610n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair