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PubMed code 20218625

Compile data set for download or QSAR
Found 27 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))		BDBM50314880
PNG
(CHEMBL1089542 | N-(3-(guanidinomethyl)benzyl)-N-(1...)
Show SMILES [#6]-[#6]-[#6](=O)-[#7](-[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1
Show InChI InChI=1S/C25H35N5O/c1-2-24(31)30(19-22-10-6-9-21(17-22)18-28-25(26)27)23-12-15-29(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17,23H,2,11-16,18-19H2,1H3,(H4,26,27,28)
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 0.448n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50314880
PNG
(CHEMBL1089542 | N-(3-(guanidinomethyl)benzyl)-N-(1...)
Show SMILES [#6]-[#6]-[#6](=O)-[#7](-[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1
Show InChI InChI=1S/C25H35N5O/c1-2-24(31)30(19-22-10-6-9-21(17-22)18-28-25(26)27)23-12-15-29(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17,23H,2,11-16,18-19H2,1H3,(H4,26,27,28)
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 0.536n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50008984
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
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 5.90n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50314880
PNG
(CHEMBL1089542 | N-(3-(guanidinomethyl)benzyl)-N-(1...)
Show SMILES [#6]-[#6]-[#6](=O)-[#7](-[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1
Show InChI InChI=1S/C25H35N5O/c1-2-24(31)30(19-22-10-6-9-21(17-22)18-28-25(26)27)23-12-15-29(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17,23H,2,11-16,18-19H2,1H3,(H4,26,27,28)
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 43.5n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50314883
PNG
(CHEMBL1089546 | N-(3-Methylbenzyl)-N-(1-phenylethy...)
Show SMILES CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H32N2O/c1-3-24(27)26(19-22-11-7-8-20(2)18-22)23-13-16-25(17-14-23)15-12-21-9-5-4-6-10-21/h4-11,18,23H,3,12-17,19H2,1-2H3
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 96n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50314881
PNG
(CHEMBL1089543 | CHEMBL1089873 | cis-N-(3-(Guanidin...)
Show SMILES [#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
Show InChI InChI=1S/C26H34N4O/c1-2-25(31)24(18-21-9-6-10-22(17-21)19-29-26(27)28)23-12-15-30(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17-18,23H,2,11-16,19H2,1H3,(H4,27,28,29)
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 162n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50314881
PNG
(CHEMBL1089543 | CHEMBL1089873 | cis-N-(3-(Guanidin...)
Show SMILES [#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
Show InChI InChI=1S/C26H34N4O/c1-2-25(31)24(18-21-9-6-10-22(17-21)19-29-26(27)28)23-12-15-30(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17-18,23H,2,11-16,19H2,1H3,(H4,27,28,29)
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 224n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50314881
PNG
(CHEMBL1089543 | CHEMBL1089873 | cis-N-(3-(Guanidin...)
Show SMILES [#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
Show InChI InChI=1S/C26H34N4O/c1-2-25(31)24(18-21-9-6-10-22(17-21)19-29-26(27)28)23-12-15-30(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17-18,23H,2,11-16,19H2,1H3,(H4,27,28,29)
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 238n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50008984
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
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 298n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50314881
PNG
(CHEMBL1089543 | CHEMBL1089873 | cis-N-(3-(Guanidin...)
Show SMILES [#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
Show InChI InChI=1S/C26H34N4O/c1-2-25(31)24(18-21-9-6-10-22(17-21)19-29-26(27)28)23-12-15-30(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17-18,23H,2,11-16,19H2,1H3,(H4,27,28,29)
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 300n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50314879
PNG
(CHEMBL1091995 | N-formylnormorphine)
Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C=O)c45 |r,c:2|
Show InChI InChI=1S/C17H17NO4/c19-8-18-6-5-17-10-2-4-13(21)16(17)22-15-12(20)3-1-9(14(15)17)7-11(10)18/h1-4,8,10-11,13,16,20-21H,5-7H2/t10-,11+,13-,16-,17-/m0/s1
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 363n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50314879
PNG
(CHEMBL1091995 | N-formylnormorphine)
Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C=O)c45 |r,c:2|
Show InChI InChI=1S/C17H17NO4/c19-8-18-6-5-17-10-2-4-13(21)16(17)22-15-12(20)3-1-9(14(15)17)7-11(10)18/h1-4,8,10-11,13,16,20-21H,5-7H2/t10-,11+,13-,16-,17-/m0/s1
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 420n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50008984
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
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 568n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50314883
PNG
(CHEMBL1089546 | N-(3-Methylbenzyl)-N-(1-phenylethy...)
Show SMILES CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H32N2O/c1-3-24(27)26(19-22-11-7-8-20(2)18-22)23-13-16-25(17-14-23)15-12-21-9-5-4-6-10-21/h4-11,18,23H,3,12-17,19H2,1-2H3
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 1.85E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


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

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50314881
PNG
(CHEMBL1089543 | CHEMBL1089873 | cis-N-(3-(Guanidin...)
Show SMILES [#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
Show InChI InChI=1S/C26H34N4O/c1-2-25(31)24(18-21-9-6-10-22(17-21)19-29-26(27)28)23-12-15-30(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17-18,23H,2,11-16,19H2,1H3,(H4,27,28,29)
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 4.11E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50314883
PNG
(CHEMBL1089546 | N-(3-Methylbenzyl)-N-(1-phenylethy...)
Show SMILES CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H32N2O/c1-3-24(27)26(19-22-11-7-8-20(2)18-22)23-13-16-25(17-14-23)15-12-21-9-5-4-6-10-21/h4-11,18,23H,3,12-17,19H2,1-2H3
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 6.82E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50314881
PNG
(CHEMBL1089543 | CHEMBL1089873 | cis-N-(3-(Guanidin...)
Show SMILES [#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
Show InChI InChI=1S/C26H34N4O/c1-2-25(31)24(18-21-9-6-10-22(17-21)19-29-26(27)28)23-12-15-30(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17-18,23H,2,11-16,19H2,1H3,(H4,27,28,29)
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 7.80E+3n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50008984
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
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n/an/a 3.45n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50008984
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
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n/an/a 9.45n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50314880
PNG
(CHEMBL1089542 | N-(3-(guanidinomethyl)benzyl)-N-(1...)
Show SMILES [#6]-[#6]-[#6](=O)-[#7](-[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1
Show InChI InChI=1S/C25H35N5O/c1-2-24(31)30(19-22-10-6-9-21(17-22)18-28-25(26)27)23-12-15-29(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17,23H,2,11-16,18-19H2,1H3,(H4,26,27,28)
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n/an/a 22.4n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50314880
PNG
(CHEMBL1089542 | N-(3-(guanidinomethyl)benzyl)-N-(1...)
Show SMILES [#6]-[#6]-[#6](=O)-[#7](-[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1
Show InChI InChI=1S/C25H35N5O/c1-2-24(31)30(19-22-10-6-9-21(17-22)18-28-25(26)27)23-12-15-29(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17,23H,2,11-16,18-19H2,1H3,(H4,26,27,28)
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n/an/a 114n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50314881
PNG
(CHEMBL1089543 | CHEMBL1089873 | cis-N-(3-(Guanidin...)
Show SMILES [#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
Show InChI InChI=1S/C26H34N4O/c1-2-25(31)24(18-21-9-6-10-22(17-21)19-29-26(27)28)23-12-15-30(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17-18,23H,2,11-16,19H2,1H3,(H4,27,28,29)
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n/an/a 521n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50314881
PNG
(CHEMBL1089543 | CHEMBL1089873 | cis-N-(3-(Guanidin...)
Show SMILES [#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
Show InChI InChI=1S/C26H34N4O/c1-2-25(31)24(18-21-9-6-10-22(17-21)19-29-26(27)28)23-12-15-30(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17-18,23H,2,11-16,19H2,1H3,(H4,27,28,29)
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n/an/a 590n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50314883
PNG
(CHEMBL1089546 | N-(3-Methylbenzyl)-N-(1-phenylethy...)
Show SMILES CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H32N2O/c1-3-24(27)26(19-22-11-7-8-20(2)18-22)23-13-16-25(17-14-23)15-12-21-9-5-4-6-10-21/h4-11,18,23H,3,12-17,19H2,1-2H3
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n/an/a 610n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50314883
PNG
(CHEMBL1089546 | N-(3-Methylbenzyl)-N-(1-phenylethy...)
Show SMILES CCC(=O)N(Cc1cccc(C)c1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H32N2O/c1-3-24(27)26(19-22-11-7-8-20(2)18-22)23-13-16-25(17-14-23)15-12-21-9-5-4-6-10-21/h4-11,18,23H,3,12-17,19H2,1-2H3
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n/an/a 647n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50314881
PNG
(CHEMBL1089543 | CHEMBL1089873 | cis-N-(3-(Guanidin...)
Show SMILES [#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
Show InChI InChI=1S/C26H34N4O/c1-2-25(31)24(18-21-9-6-10-22(17-21)19-29-26(27)28)23-12-15-30(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17-18,23H,2,11-16,19H2,1H3,(H4,27,28,29)
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n/an/a 4.75E+3n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50314881
PNG
(CHEMBL1089543 | CHEMBL1089873 | cis-N-(3-(Guanidin...)
Show SMILES [#6]-[#6]-[#6](=O)-[#6](=[#6]-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1 |w:5.5|
Show InChI InChI=1S/C26H34N4O/c1-2-25(31)24(18-21-9-6-10-22(17-21)19-29-26(27)28)23-12-15-30(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17-18,23H,2,11-16,19H2,1H3,(H4,27,28,29)
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n/an/a 5.82E+3n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction

J Med Chem 53: 2875-81 (2010)


Article DOI: 10.1021/jm9019068
BindingDB Entry DOI: 10.7270/Q21G0N7R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%