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SMILES: CN1CC[C@]23C[C@H]1CC[C@H]2Oc1ccc(O)cc31

InChI Key: InChIKey=XSUYNLVDLMCOCB-VCTAVGKDSA-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 = 50348868   
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))
BDBM50348868
PNG
(CHEMBL1808301)
Show SMILES CN1CC[C@]23C[C@H]1CC[C@H]2Oc1ccc(O)cc31 |r|
Show InChI InChI=1S/C15H19NO2/c1-16-7-6-15-9-10(16)2-5-14(15)18-13-4-3-11(17)8-12(13)15/h3-4,8,10,14,17H,2,5-7,9H2,1H3/t10-,14-,15-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
>2.80E+3n/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 [125I]IOXY from human mu opioid receptor expressed in CHO cells coexpressing human recombinant MOR after 2 hrs by liquid scintillatio...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
BindingDB Entry DOI: 10.7270/Q2902452
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50348868
PNG
(CHEMBL1808301)
Show SMILES CN1CC[C@]23C[C@H]1CC[C@H]2Oc1ccc(O)cc31 |r|
Show InChI InChI=1S/C15H19NO2/c1-16-7-6-15-9-10(16)2-5-14(15)18-13-4-3-11(17)8-12(13)15/h3-4,8,10,14,17H,2,5-7,9H2,1H3/t10-,14-,15-/m1/s1
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Article
PubMed
>4.90E+3n/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 [125I]IOXY from human delta opioid receptor expressed in CHO cells coexpressing human recombinant DOR after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
BindingDB Entry DOI: 10.7270/Q2902452
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50348868
PNG
(CHEMBL1808301)
Show SMILES CN1CC[C@]23C[C@H]1CC[C@H]2Oc1ccc(O)cc31 |r|
Show InChI InChI=1S/C15H19NO2/c1-16-7-6-15-9-10(16)2-5-14(15)18-13-4-3-11(17)8-12(13)15/h3-4,8,10,14,17H,2,5-7,9H2,1H3/t10-,14-,15-/m1/s1
PDB

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PC cid
PC sid
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Article
PubMed
>8.60E+3n/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 [125I]IOXY from human kappa opioid receptor expressed in CHO cells coexpressing human recombinant KOP after 2 hrs by liquid scintilla...


Bioorg Med Chem 19: 4330-7 (2011)


Article DOI: 10.1016/j.bmc.2011.05.035
BindingDB Entry DOI: 10.7270/Q2902452
More data for this
Ligand-Target Pair