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PubMed code 21864951

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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))
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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Article
PubMed
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50353656
PNG
(CHEMBL1829950)
Show SMILES Cc1n(c(C)c2c1c(=O)[nH]n(CCN1CCN(CC1)c1cc(Cl)ccc1C)c2=O)-c1ccccc1
Show InChI InChI=1S/C27H30ClN5O2/c1-18-9-10-21(28)17-23(18)31-14-11-30(12-15-31)13-16-32-27(35)25-20(3)33(22-7-5-4-6-8-22)19(2)24(25)26(34)29-32/h4-10,17H,11-16H2,1-3H3,(H,29,34)
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PubMed
2.60E+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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50353657
PNG
(CHEMBL1829947)
Show SMILES Cc1n(c(C)c2c1c(=O)[nH]n(CCN1CCN(CC1)c1ccccc1F)c2=O)-c1ccccc1
Show InChI InChI=1S/C26H28FN5O2/c1-18-23-24(19(2)32(18)20-8-4-3-5-9-20)26(34)31(28-25(23)33)17-14-29-12-15-30(16-13-29)22-11-7-6-10-21(22)27/h3-11H,12-17H2,1-2H3,(H,28,33)
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1.11E+4n/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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326673
PNG
((levallorphan)17-allyl-(1R,9R)-17-azatetracyclo[7....)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1 |r|
Show InChI InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
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n/an/a 0.634n/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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50353656
PNG
(CHEMBL1829950)
Show SMILES Cc1n(c(C)c2c1c(=O)[nH]n(CCN1CCN(CC1)c1cc(Cl)ccc1C)c2=O)-c1ccccc1
Show InChI InChI=1S/C27H30ClN5O2/c1-18-9-10-21(28)17-23(18)31-14-11-30(12-15-31)13-16-32-27(35)25-20(3)33(22-7-5-4-6-8-22)19(2)24(25)26(34)29-32/h4-10,17H,11-16H2,1-3H3,(H,29,34)
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n/an/a 5.60E+3n/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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50353657
PNG
(CHEMBL1829947)
Show SMILES Cc1n(c(C)c2c1c(=O)[nH]n(CCN1CCN(CC1)c1ccccc1F)c2=O)-c1ccccc1
Show InChI InChI=1S/C26H28FN5O2/c1-18-23-24(19(2)32(18)20-8-4-3-5-9-20)26(34)31(28-25(23)33)17-14-29-12-15-30(16-13-29)22-11-7-6-10-21(22)27/h3-11H,12-17H2,1-2H3,(H,28,33)
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PubMed
n/an/a 2.42E+4n/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
* indicates data uncertainty>20%