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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50326657   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326657
PNG
(CHEMBL1253927)
Show SMILES COc1cccc2C[C@@H]3[C@@H]4CCC(=O)C[C@]4(CCN3CC=C)c12 |r|
Show InChI InChI=1S/C20H25NO2/c1-3-10-21-11-9-20-13-15(22)7-8-16(20)17(21)12-14-5-4-6-18(23-2)19(14)20/h3-6,16-17H,1,7-13H2,2H3/t16-,17+,20-/m0/s1
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Article
PubMed
6.55n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326657
PNG
(CHEMBL1253927)
Show SMILES COc1cccc2C[C@@H]3[C@@H]4CCC(=O)C[C@]4(CCN3CC=C)c12 |r|
Show InChI InChI=1S/C20H25NO2/c1-3-10-21-11-9-20-13-15(22)7-8-16(20)17(21)12-14-5-4-6-18(23-2)19(14)20/h3-6,16-17H,1,7-13H2,2H3/t16-,17+,20-/m0/s1
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UniChem

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Article
PubMed
113n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326657
PNG
(CHEMBL1253927)
Show SMILES COc1cccc2C[C@@H]3[C@@H]4CCC(=O)C[C@]4(CCN3CC=C)c12 |r|
Show InChI InChI=1S/C20H25NO2/c1-3-10-21-11-9-20-13-15(22)7-8-16(20)17(21)12-14-5-4-6-18(23-2)19(14)20/h3-6,16-17H,1,7-13H2,2H3/t16-,17+,20-/m0/s1
PDB

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Article
PubMed
217n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair