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BDBM50092699 CHEMBL126842::N,N-Diethyl-4-[(1-methyl-piperidin-4-ylidene)-phenyl-methyl]-benzamide

SMILES: [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)\c1ccccc1

InChI Key: InChIKey=ZREUYGHIRGMBCR-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 50092699   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092699
PNG
(CHEMBL126842 | N,N-Diethyl-4-[(1-methyl-piperidin-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-4-26(5-2)24(27)22-13-11-20(12-14-22)23(19-9-7-6-8-10-19)21-15-17-25(3)18-16-21/h6-14H,4-5,15-18H2,1-3H3
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PubMed
n/an/a 27n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.


J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092699
PNG
(CHEMBL126842 | N,N-Diethyl-4-[(1-methyl-piperidin-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-4-26(5-2)24(27)22-13-11-20(12-14-22)23(19-9-7-6-8-10-19)21-15-17-25(3)18-16-21/h6-14H,4-5,15-18H2,1-3H3
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PubMed
n/an/a>8.90E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.


J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50092699
PNG
(CHEMBL126842 | N,N-Diethyl-4-[(1-methyl-piperidin-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-4-26(5-2)24(27)22-13-11-20(12-14-22)23(19-9-7-6-8-10-19)21-15-17-25(3)18-16-21/h6-14H,4-5,15-18H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.


J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092699
PNG
(CHEMBL126842 | N,N-Diethyl-4-[(1-methyl-piperidin-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-4-26(5-2)24(27)22-13-11-20(12-14-22)23(19-9-7-6-8-10-19)21-15-17-25(3)18-16-21/h6-14H,4-5,15-18H2,1-3H3
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PubMed
n/an/an/an/a 161n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.


J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair