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SMILES: [H][C@]12CN(CC3CC3)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2

InChI Key: InChIKey=UOEDUDFJERAGOF-GOTSBHOMSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50491805   
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


(Homo sapiens (Human))
BDBM50491805
PNG
(CHEMBL2386901)
Show SMILES [H][C@]12CN(CC3CC3)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1S/C23H27NO2/c25-19-8-9-21-20(14-19)23(11-10-17-4-2-1-3-5-17)12-13-24(15-18-6-7-18)16-22(23)26-21/h1-5,8-9,14,18,22,25H,6-7,10-13,15-16H2/t22-,23-/m0/s1
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5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting anal...


Bioorg Med Chem 21: 3298-309 (2013)


Article DOI: 10.1016/j.bmc.2013.02.060
BindingDB Entry DOI: 10.7270/Q2FX7DCH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50491805
PNG
(CHEMBL2386901)
Show SMILES [H][C@]12CN(CC3CC3)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1S/C23H27NO2/c25-19-8-9-21-20(14-19)23(11-10-17-4-2-1-3-5-17)12-13-24(15-18-6-7-18)16-22(23)26-21/h1-5,8-9,14,18,22,25H,6-7,10-13,15-16H2/t22-,23-/m0/s1
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16n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting...


Bioorg Med Chem 21: 3298-309 (2013)


Article DOI: 10.1016/j.bmc.2013.02.060
BindingDB Entry DOI: 10.7270/Q2FX7DCH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491805
PNG
(CHEMBL2386901)
Show SMILES [H][C@]12CN(CC3CC3)CC[C@@]1(CCc1ccccc1)c1cc(O)ccc1O2 |r|
Show InChI InChI=1S/C23H27NO2/c25-19-8-9-21-20(14-19)23(11-10-17-4-2-1-3-5-17)12-13-24(15-18-6-7-18)16-22(23)26-21/h1-5,8-9,14,18,22,25H,6-7,10-13,15-16H2/t22-,23-/m0/s1
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24n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting a...


Bioorg Med Chem 21: 3298-309 (2013)


Article DOI: 10.1016/j.bmc.2013.02.060
BindingDB Entry DOI: 10.7270/Q2FX7DCH
More data for this
Ligand-Target Pair