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BDBM50144235 CHEMBL63750::N,N-Diethyl-4-{phenyl-[8-(3-phenyl-propyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-methyl}-benzamide

SMILES: [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-c1ccccc1)\c1ccccc1

InChI Key: InChIKey=YMEAXELZMGDHIH-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50144235   
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))
BDBM50144235
PNG
(CHEMBL63750 | N,N-Diethyl-4-{phenyl-[8-(3-phenyl-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C34H40N2O/c1-3-35(4-2)34(37)29-19-17-28(18-20-29)33(27-15-9-6-10-16-27)30-24-31-21-22-32(25-30)36(31)23-11-14-26-12-7-5-8-13-26/h5-10,12-13,15-20,31-32H,3-4,11,14,21-25H2,1-2H3
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PC cid
PC sid
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Article
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0.560n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50144235
PNG
(CHEMBL63750 | N,N-Diethyl-4-{phenyl-[8-(3-phenyl-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C34H40N2O/c1-3-35(4-2)34(37)29-19-17-28(18-20-29)33(27-15-9-6-10-16-27)30-24-31-21-22-32(25-30)36(31)23-11-14-26-12-7-5-8-13-26/h5-10,12-13,15-20,31-32H,3-4,11,14,21-25H2,1-2H3
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104n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144235
PNG
(CHEMBL63750 | N,N-Diethyl-4-{phenyl-[8-(3-phenyl-p...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C34H40N2O/c1-3-35(4-2)34(37)29-19-17-28(18-20-29)33(27-15-9-6-10-16-27)30-24-31-21-22-32(25-30)36(31)23-11-14-26-12-7-5-8-13-26/h5-10,12-13,15-20,31-32H,3-4,11,14,21-25H2,1-2H3
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PC cid
PC sid
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n/an/an/an/a 112n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Effective concentration against stimulation of [35S]-GTP-gammaS, binding in CHO cells transfected with the human opioid receptor delta 1


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair