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BDBM50144245 4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(4-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamide::CHEMBL308928

SMILES: [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2)\c1ccc(-[#8])cc1

InChI Key: InChIKey=YFVXEAIWMFQVBV-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50144245   
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))
BDBM50144245
PNG
(4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(4-hydroxy-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2)\c1ccc(-[#8])cc1
Show InChI InChI=1S/C25H30N2O2/c1-3-27(4-2)25(29)19-7-5-17(6-8-19)24(18-9-13-23(28)14-10-18)20-15-21-11-12-22(16-20)26-21/h5-10,13-14,21-22,26,28H,3-4,11-12,15-16H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
0.580n/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))
BDBM50144245
PNG
(4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(4-hydroxy-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2)\c1ccc(-[#8])cc1
Show InChI InChI=1S/C25H30N2O2/c1-3-27(4-2)25(29)19-7-5-17(6-8-19)24(18-9-13-23(28)14-10-18)20-15-21-11-12-22(16-20)26-21/h5-10,13-14,21-22,26,28H,3-4,11-12,15-16H2,1-2H3
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442n/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))
BDBM50144245
PNG
(4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(4-hydroxy-...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2)\c1ccc(-[#8])cc1
Show InChI InChI=1S/C25H30N2O2/c1-3-27(4-2)25(29)19-7-5-17(6-8-19)24(18-9-13-23(28)14-10-18)20-15-21-11-12-22(16-20)26-21/h5-10,13-14,21-22,26,28H,3-4,11-12,15-16H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5n/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