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PubMed code 20056539

Compile data set for download or QSAR
Found 14 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


(GUINEA PIG)		BDBM50310297
PNG
((2R,2aS,2a1S,5aR)-2-(cyclopropylmethylamino)-2a,7-...)
Show SMILES Oc1ccc2C[C@@H](NCC3CC3)[C@]3(O)CCC(=O)[C@@H]4Oc1c2[C@]34C=C |r|
Show InChI InChI=1S/C20H23NO4/c1-2-19-16-12-5-6-13(22)17(16)25-18(19)14(23)7-8-20(19,24)15(9-12)21-10-11-3-4-11/h2,5-6,11,15,18,21-22,24H,1,3-4,7-10H2/t15-,18+,19+,20-/m1/s1
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 8.60n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50310292
PNG
(CHEMBL604522 | KNT-5)
Show SMILES CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@H]4C(=O)CC[C@@]11OCC[C@]41c23 |r|
Show InChI InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)16-10-13-4-5-14(23)18-17(13)20-8-9-25-21(16,20)7-6-15(24)19(20)26-18/h4-5,12,16,19,23H,2-3,6-11H2,1H3/t16-,19+,20+,21-/m1/s1
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 24n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50310294
PNG
((2R,2aS,2a1S,5aR)-2-(cyclopropylmethylamino)-2a1-e...)
Show SMILES CC[C@@]12[C@H]3Oc4c1c(C[C@@H](NCC1CC1)[C@]2(O)CCC3=O)ccc4O |r|
Show InChI InChI=1S/C20H25NO4/c1-2-19-16-12-5-6-13(22)17(16)25-18(19)14(23)7-8-20(19,24)15(9-12)21-10-11-3-4-11/h5-6,11,15,18,21-22,24H,2-4,7-10H2,1H3/t15-,18+,19+,20-/m1/s1
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 26.3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50310296
PNG
((2R,2aS,2a1S,5aR)-2-((cyclopropylmethyl)(methyl)am...)
Show SMILES CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@H]4C(=O)CC[C@]1(O)[C@@]4(C=C)c23 |r|
Show InChI InChI=1S/C21H25NO4/c1-3-20-17-13-6-7-14(23)18(17)26-19(20)15(24)8-9-21(20,25)16(10-13)22(2)11-12-4-5-12/h3,6-7,12,16,19,23,25H,1,4-5,8-11H2,2H3/t16-,19+,20+,21-/m1/s1
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 26.4n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50310297
PNG
((2R,2aS,2a1S,5aR)-2-(cyclopropylmethylamino)-2a,7-...)
Show SMILES Oc1ccc2C[C@@H](NCC3CC3)[C@]3(O)CCC(=O)[C@@H]4Oc1c2[C@]34C=C |r|
Show InChI InChI=1S/C20H23NO4/c1-2-19-16-12-5-6-13(22)17(16)25-18(19)14(23)7-8-20(19,24)15(9-12)21-10-11-3-4-11/h2,5-6,11,15,18,21-22,24H,1,3-4,7-10H2/t15-,18+,19+,20-/m1/s1
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 193n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50310296
PNG
((2R,2aS,2a1S,5aR)-2-((cyclopropylmethyl)(methyl)am...)
Show SMILES CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@H]4C(=O)CC[C@]1(O)[C@@]4(C=C)c23 |r|
Show InChI InChI=1S/C21H25NO4/c1-3-20-17-13-6-7-14(23)18(17)26-19(20)15(24)8-9-21(20,25)16(10-13)22(2)11-12-4-5-12/h3,6-7,12,16,19,23,25H,1,4-5,8-11H2,2H3/t16-,19+,20+,21-/m1/s1
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 200n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50310294
PNG
((2R,2aS,2a1S,5aR)-2-(cyclopropylmethylamino)-2a1-e...)
Show SMILES CC[C@@]12[C@H]3Oc4c1c(C[C@@H](NCC1CC1)[C@]2(O)CCC3=O)ccc4O |r|
Show InChI InChI=1S/C20H25NO4/c1-2-19-16-12-5-6-13(22)17(16)25-18(19)14(23)7-8-20(19,24)15(9-12)21-10-11-3-4-11/h5-6,11,15,18,21-22,24H,2-4,7-10H2,1H3/t15-,18+,19+,20-/m1/s1
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 275n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50310295
PNG
((2R,2aS,2a1S,5aR)-2-((cyclopropylmethyl)(methyl)am...)
Show SMILES CC[C@@]12[C@H]3Oc4c1c(C[C@@H](N(C)CC1CC1)[C@]2(O)CCC3=O)ccc4O |r|
Show InChI InChI=1S/C21H27NO4/c1-3-20-17-13-6-7-14(23)18(17)26-19(20)15(24)8-9-21(20,25)16(10-13)22(2)11-12-4-5-12/h6-7,12,16,19,23,25H,3-5,8-11H2,1-2H3/t16-,19+,20+,21-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50310293
PNG
((41R,12R,12aS)-12-((cyclopropylmethyl)(methyl)amin...)
Show SMILES CN(CC1CC1)[C@@H]1Cc2ccc(O)c3OCC[C@@]4(CC(=O)CC[C@@]14O)c23 |r|
Show InChI InChI=1S/C21H27NO4/c1-22(12-13-2-3-13)17-10-14-4-5-16(24)19-18(14)20(8-9-26-19)11-15(23)6-7-21(17,20)25/h4-5,13,17,24-25H,2-3,6-12H2,1H3/t17-,20-,21-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50310292
PNG
(CHEMBL604522 | KNT-5)
Show SMILES CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@H]4C(=O)CC[C@@]11OCC[C@]41c23 |r|
Show InChI InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)16-10-13-4-5-14(23)18-17(13)20-8-9-25-21(16,20)7-6-15(24)19(20)26-18/h4-5,12,16,19,23H,2-3,6-11H2,1H3/t16-,19+,20+,21-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50310293
PNG
((41R,12R,12aS)-12-((cyclopropylmethyl)(methyl)amin...)
Show SMILES CN(CC1CC1)[C@@H]1Cc2ccc(O)c3OCC[C@@]4(CC(=O)CC[C@@]14O)c23 |r|
Show InChI InChI=1S/C21H27NO4/c1-22(12-13-2-3-13)17-10-14-4-5-16(24)19-18(14)20(8-9-26-19)11-15(23)6-7-21(17,20)25/h4-5,13,17,24-25H,2-3,6-12H2,1H3/t17-,20-,21-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50310298
PNG
((2aS,2a1S,5aR)-2a1-(2-(1H-1,2,3-triazol-1-yl)ethyl...)
Show SMILES CN(CC1CC1)C1Cc2ccc(O)c3O[C@H]4C(=O)CC[C@]1(O)[C@@]4(CCn1ccnn1)c23 |r|
Show InChI InChI=1S/C23H28N4O4/c1-26(13-14-2-3-14)18-12-15-4-5-16(28)20-19(15)22(8-10-27-11-9-24-25-27)21(31-20)17(29)6-7-23(18,22)30/h4-5,9,11,14,18,21,28,30H,2-3,6-8,10,12-13H2,1H3/t18?,21-,22-,23+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50310295
PNG
((2R,2aS,2a1S,5aR)-2-((cyclopropylmethyl)(methyl)am...)
Show SMILES CC[C@@]12[C@H]3Oc4c1c(C[C@@H](N(C)CC1CC1)[C@]2(O)CCC3=O)ccc4O |r|
Show InChI InChI=1S/C21H27NO4/c1-3-20-17-13-6-7-14(23)18(17)26-19(20)15(24)8-9-21(20,25)16(10-13)22(2)11-12-4-5-12/h6-7,12,16,19,23,25H,3-5,8-11H2,1-2H3/t16-,19+,20+,21-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50310298
PNG
((2aS,2a1S,5aR)-2a1-(2-(1H-1,2,3-triazol-1-yl)ethyl...)
Show SMILES CN(CC1CC1)C1Cc2ccc(O)c3O[C@H]4C(=O)CC[C@]1(O)[C@@]4(CCn1ccnn1)c23 |r|
Show InChI InChI=1S/C23H28N4O4/c1-26(13-14-2-3-14)18-12-15-4-5-16(28)20-19(15)22(8-10-27-11-9-24-25-27)21(31-20)17(29)6-7-23(18,22)30/h4-5,9,11,14,18,21,28,30H,2-3,6-8,10,12-13H2,1H3/t18?,21-,22-,23+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain

Bioorg Med Chem Lett 20: 1055-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.039
BindingDB Entry DOI: 10.7270/Q28C9WC0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%