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SMILES: Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12

InChI Key: InChIKey=ASMSNIHFROSTMQ-LBPRGKRZSA-N

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 = 50313166   
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))
BDBM50313166
PNG
((S)-(2-hydroxy-6-methylphenyl)(2,3,5,7a-tetrahydro...)
Show SMILES Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12 |r,t:11|
Show InChI InChI=1S/C15H17NO2/c1-10-4-2-6-13(17)14(10)15(18)11-7-9-16-8-3-5-12(11)16/h2,4,6-7,12,17H,3,5,8-9H2,1H3/t12-/m0/s1
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Similars

Article
PubMed
3.20E+3n/an/an/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 1601-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.062
BindingDB Entry DOI: 10.7270/Q2K35TRM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50313166
PNG
((S)-(2-hydroxy-6-methylphenyl)(2,3,5,7a-tetrahydro...)
Show SMILES Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12 |r,t:11|
Show InChI InChI=1S/C15H17NO2/c1-10-4-2-6-13(17)14(10)15(18)11-7-9-16-8-3-5-12(11)16/h2,4,6-7,12,17H,3,5,8-9H2,1H3/t12-/m0/s1
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Article
PubMed
3.50E+4n/an/an/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 1601-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.062
BindingDB Entry DOI: 10.7270/Q2K35TRM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50313166
PNG
((S)-(2-hydroxy-6-methylphenyl)(2,3,5,7a-tetrahydro...)
Show SMILES Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12 |r,t:11|
Show InChI InChI=1S/C15H17NO2/c1-10-4-2-6-13(17)14(10)15(18)11-7-9-16-8-3-5-12(11)16/h2,4,6-7,12,17H,3,5,8-9H2,1H3/t12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 1601-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.062
BindingDB Entry DOI: 10.7270/Q2K35TRM
More data for this
Ligand-Target Pair