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Compile Data Set for Download or QSAR

Found 8 hits of ki for monomerid = 50176259   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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9.40n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 203-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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14n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 203-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 203-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 agonist activity with monoamine (NE, 5-HT) uptake-blocking activity in the 0.8-1 uM range


J Med Chem 42: 1481-500 (1999)


Article DOI: 10.1021/jm9805034
BindingDB Entry DOI: 10.7270/Q2HX1DCV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Binding affinity towards aldosterone receptor (Mineralocorticoid receptor)


ACS Med Chem Lett 7: 391-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00423
BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dihydromorphine from mu opioid receptor in rat cerebral cortex by liquid scintillation counting


Eur J Med Chem 46: 4992-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.006
BindingDB Entry DOI: 10.7270/Q27S7P5W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00423
BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00423
BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair