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PubMed code 20637637

Compile data set for download or QSAR
Found 46 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
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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 0.0350n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324028
PNG
((S)-2-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dime...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C23H28N2O4/c1-14-9-18(26)10-15(2)19(14)12-20(24(3)4)22(27)25-13-17-8-6-5-7-16(17)11-21(25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20-,21-/m0/s1
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 0.118n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324023
PNG
((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C49H67N9O12/c1-25(2)41(48(69)52-24-39(51)61)58-49(70)42(26(3)4)57-45(66)36(17-18-40(62)63)54-47(68)38(21-30-11-9-8-10-12-30)55-43(64)29(7)53-46(67)37(22-31-13-15-32(59)16-14-31)56-44(65)35(50)23-34-27(5)19-33(60)20-28(34)6/h8-16,19-20,25-26,29,35-38,41-42,59-60H,17-18,21-24,50H2,1-7H3,(H2,51,61)(H,52,69)(H,53,67)(H,54,68)(H,55,64)(H,56,65)(H,57,66)(H,58,70)(H,62,63)/t29-,35+,36+,37+,38+,41+,42+/m1/s1
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 0.160n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324019
PNG
((S)-3-((S)-2-((S)-2-amino-3-(2,6-difluoro-4-hydrox...)
Show SMILES N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H27F2N5O5/c30-19-10-17(37)11-20(31)18(19)12-21(32)29(41)36-14-16-6-2-1-5-15(16)9-25(36)28(40)35-24(13-26(38)39)27-33-22-7-3-4-8-23(22)34-27/h1-8,10-11,21,24-25,37H,9,12-14,32H2,(H,33,34)(H,35,40)(H,38,39)/t21-,24-,25-/m0/s1
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 0.162n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324020
PNG
((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propa...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H29N5O5/c30-21(13-17-9-11-20(35)12-10-17)29(39)34-16-19-6-2-1-5-18(19)14-25(34)28(38)33-24(15-26(36)37)27-31-22-7-3-4-8-23(22)32-27/h1-12,21,24-25,35H,13-16,30H2,(H,31,32)(H,33,38)(H,36,37)/t21-,24-,25-/m0/s1
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 0.177n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324024
PNG
((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(F)cc(O)cc1F)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C47H61F2N9O12/c1-23(2)39(46(69)52-22-37(51)61)58-47(70)40(24(3)4)57-43(66)34(15-16-38(62)63)54-45(68)36(17-26-9-7-6-8-10-26)55-41(64)25(5)53-44(67)35(18-27-11-13-28(59)14-12-27)56-42(65)33(50)21-30-31(48)19-29(60)20-32(30)49/h6-14,19-20,23-25,33-36,39-40,59-60H,15-18,21-22,50H2,1-5H3,(H2,51,61)(H,52,69)(H,53,67)(H,54,68)(H,55,64)(H,56,65)(H,57,66)(H,58,70)(H,62,63)/t25-,33+,34+,35+,36+,39+,40+/m1/s1
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 0.241n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324031
PNG
((S)-2-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dime...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C23H29N3O3/c1-14-9-18(27)10-15(2)19(14)12-21(25(3)4)23(29)26-13-17-8-6-5-7-16(17)11-20(26)22(24)28/h5-10,20-21,27H,11-13H2,1-4H3,(H2,24,28)/t20-,21-/m0/s1
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 0.309n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50272169
PNG
((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O5/c1-17-11-21(37)12-18(2)22(17)14-23(32)31(41)36-16-20-8-4-3-7-19(20)13-27(36)30(40)35-26(15-28(38)39)29-33-24-9-5-6-10-25(24)34-29/h3-12,23,26-27,37H,13-16,32H2,1-2H3,(H,33,34)(H,35,40)(H,38,39)/t23-,26-,27-/m0/s1
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 0.440n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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 0.5n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324025
PNG
((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C34H42N4O5/c1-22-16-27(39)17-23(2)28(22)19-29(35)33(41)38-21-26-13-7-6-12-25(26)18-31(38)32(40)37-30(34(42)43)14-8-9-15-36-20-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-31,36,39H,8-9,14-15,18-21,35H2,1-2H3,(H,37,40)(H,42,43)/t29-,30-,31-/m0/s1
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 0.5n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324022
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C27H27N5O3/c28-21(13-17-9-11-20(33)12-10-17)27(35)32-16-19-6-2-1-5-18(19)14-24(32)26(34)29-15-25-30-22-7-3-4-8-23(22)31-25/h1-12,21,24,33H,13-16,28H2,(H,29,34)(H,30,31)/t21-,24-/m0/s1
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 0.913n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324021
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C27H25F2N5O3/c28-19-10-17(35)11-20(29)18(19)12-21(30)27(37)34-14-16-6-2-1-5-15(16)9-24(34)26(36)31-13-25-32-22-7-3-4-8-23(22)33-25/h1-8,10-11,21,24,35H,9,12-14,30H2,(H,31,36)(H,32,33)/t21-,24-/m0/s1
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 1.01n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324023
PNG
((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C49H67N9O12/c1-25(2)41(48(69)52-24-39(51)61)58-49(70)42(26(3)4)57-45(66)36(17-18-40(62)63)54-47(68)38(21-30-11-9-8-10-12-30)55-43(64)29(7)53-46(67)37(22-31-13-15-32(59)16-14-31)56-44(65)35(50)23-34-27(5)19-33(60)20-28(34)6/h8-16,19-20,25-26,29,35-38,41-42,59-60H,17-18,21-24,50H2,1-7H3,(H2,51,61)(H,52,69)(H,53,67)(H,54,68)(H,55,64)(H,56,65)(H,57,66)(H,58,70)(H,62,63)/t29-,35+,36+,37+,38+,41+,42+/m1/s1
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 1.68n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324025
PNG
((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C34H42N4O5/c1-22-16-27(39)17-23(2)28(22)19-29(35)33(41)38-21-26-13-7-6-12-25(26)18-31(38)32(40)37-30(34(42)43)14-8-9-15-36-20-24-10-4-3-5-11-24/h3-7,10-13,16-17,29-31,36,39H,8-9,14-15,18-21,35H2,1-2H3,(H,37,40)(H,42,43)/t29-,30-,31-/m0/s1
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 4.05n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324029
PNG
((S)-2-((S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dim...)
Show SMILES CN(C)[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C21H22F2N2O4/c1-24(2)18(10-15-16(22)8-14(26)9-17(15)23)20(27)25-11-13-6-4-3-5-12(13)7-19(25)21(28)29/h3-6,8-9,18-19,26H,7,10-11H2,1-2H3,(H,28,29)/t18-,19-/m0/s1
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 29.2n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324030
PNG
((S)-2-((S)-2-(dimethylamino)-3-(4-hydroxyphenyl)pr...)
Show SMILES CN(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C21H24N2O4/c1-22(2)18(11-14-7-9-17(24)10-8-14)20(25)23-13-16-6-4-3-5-15(16)12-19(23)21(26)27/h3-10,18-19,24H,11-13H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
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 34.8n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50272169
PNG
((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O5/c1-17-11-21(37)12-18(2)22(17)14-23(32)31(41)36-16-20-8-4-3-7-19(20)13-27(36)30(40)35-26(15-28(38)39)29-33-24-9-5-6-10-25(24)34-29/h3-12,23,26-27,37H,13-16,32H2,1-2H3,(H,33,34)(H,35,40)(H,38,39)/t23-,26-,27-/m0/s1
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 53.9n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324021
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C27H25F2N5O3/c28-19-10-17(35)11-20(29)18(19)12-21(30)27(37)34-14-16-6-2-1-5-15(16)9-24(34)26(36)31-13-25-32-22-7-3-4-8-23(22)33-25/h1-8,10-11,21,24,35H,9,12-14,30H2,(H,31,36)(H,32,33)/t21-,24-/m0/s1
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 54.5n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324027
PNG
((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propa...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C32H38N4O5/c33-27(18-22-13-15-26(37)16-14-22)31(39)36-21-25-11-5-4-10-24(25)19-29(36)30(38)35-28(32(40)41)12-6-7-17-34-20-23-8-2-1-3-9-23/h1-5,8-11,13-16,27-29,34,37H,6-7,12,17-21,33H2,(H,35,38)(H,40,41)/t27-,28-,29-/m0/s1
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 63.9n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324022
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C27H27N5O3/c28-21(13-17-9-11-20(33)12-10-17)27(35)32-16-19-6-2-1-5-18(19)14-24(32)26(34)29-15-25-30-22-7-3-4-8-23(22)31-25/h1-12,21,24,33H,13-16,28H2,(H,29,34)(H,30,31)/t21-,24-/m0/s1
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 66.9n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324026
PNG
((S)-2-((S)-2-((S)-2-amino-3-(2,6-difluoro-4-hydrox...)
Show SMILES N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C32H36F2N4O5/c33-25-15-23(39)16-26(34)24(25)17-27(35)31(41)38-19-22-11-5-4-10-21(22)14-29(38)30(40)37-28(32(42)43)12-6-7-13-36-18-20-8-2-1-3-9-20/h1-5,8-11,15-16,27-29,36,39H,6-7,12-14,17-19,35H2,(H,37,40)(H,42,43)/t27-,28-,29-/m0/s1
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 153n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324024
PNG
((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(F)cc(O)cc1F)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C47H61F2N9O12/c1-23(2)39(46(69)52-22-37(51)61)58-47(70)40(24(3)4)57-43(66)34(15-16-38(62)63)54-45(68)36(17-26-9-7-6-8-10-26)55-41(64)25(5)53-44(67)35(18-27-11-13-28(59)14-12-27)56-42(65)33(50)21-30-31(48)19-29(60)20-32(30)49/h6-14,19-20,23-25,33-36,39-40,59-60H,15-18,21-22,50H2,1-5H3,(H2,51,61)(H,52,69)(H,53,67)(H,54,68)(H,55,64)(H,56,65)(H,57,66)(H,58,70)(H,62,63)/t25-,33+,34+,35+,36+,39+,40+/m1/s1
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 154n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324032
PNG
((S)-2-((S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dim...)
Show SMILES CN(C)[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C21H23F2N3O3/c1-25(2)19(10-15-16(22)8-14(27)9-17(15)23)21(29)26-11-13-6-4-3-5-12(13)7-18(26)20(24)28/h3-6,8-9,18-19,27H,7,10-11H2,1-2H3,(H2,24,28)/t18-,19-/m0/s1
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 176n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324033
PNG
((S)-2-((S)-2-(dimethylamino)-3-(4-hydroxyphenyl)pr...)
Show SMILES CN(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C21H25N3O3/c1-23(2)19(11-14-7-9-17(25)10-8-14)21(27)24-13-16-6-4-3-5-15(16)12-18(24)20(22)26/h3-10,18-19,25H,11-13H2,1-2H3,(H2,22,26)/t18-,19-/m0/s1
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 201n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324019
PNG
((S)-3-((S)-2-((S)-2-amino-3-(2,6-difluoro-4-hydrox...)
Show SMILES N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H27F2N5O5/c30-19-10-17(37)11-20(31)18(19)12-21(32)29(41)36-14-16-6-2-1-5-15(16)9-25(36)28(40)35-24(13-26(38)39)27-33-22-7-3-4-8-23(22)34-27/h1-8,10-11,21,24-25,37H,9,12-14,32H2,(H,33,34)(H,35,40)(H,38,39)/t21-,24-,25-/m0/s1
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 225n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324031
PNG
((S)-2-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dime...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C23H29N3O3/c1-14-9-18(27)10-15(2)19(14)12-21(25(3)4)23(29)26-13-17-8-6-5-7-16(17)11-20(26)22(24)28/h5-10,20-21,27H,11-13H2,1-4H3,(H2,24,28)/t20-,21-/m0/s1
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 511n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324029
PNG
((S)-2-((S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dim...)
Show SMILES CN(C)[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C21H22F2N2O4/c1-24(2)18(10-15-16(22)8-14(26)9-17(15)23)20(27)25-11-13-6-4-3-5-12(13)7-19(25)21(28)29/h3-6,8-9,18-19,26H,7,10-11H2,1-2H3,(H,28,29)/t18-,19-/m0/s1
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 573n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324032
PNG
((S)-2-((S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(dim...)
Show SMILES CN(C)[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C21H23F2N3O3/c1-25(2)19(10-15-16(22)8-14(27)9-17(15)23)21(29)26-11-13-6-4-3-5-12(13)7-18(26)20(24)28/h3-6,8-9,18-19,27H,7,10-11H2,1-2H3,(H2,24,28)/t18-,19-/m0/s1
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 596n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324020
PNG
((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propa...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H29N5O5/c30-21(13-17-9-11-20(35)12-10-17)29(39)34-16-19-6-2-1-5-18(19)14-25(34)28(38)33-24(15-26(36)37)27-31-22-7-3-4-8-23(22)32-27/h1-12,21,24-25,35H,13-16,30H2,(H,31,32)(H,33,38)(H,36,37)/t21-,24-,25-/m0/s1
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 684n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324026
PNG
((S)-2-((S)-2-((S)-2-amino-3-(2,6-difluoro-4-hydrox...)
Show SMILES N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C32H36F2N4O5/c33-25-15-23(39)16-26(34)24(25)17-27(35)31(41)38-19-22-11-5-4-10-21(22)14-29(38)30(40)37-28(32(42)43)12-6-7-13-36-18-20-8-2-1-3-9-20/h1-5,8-11,15-16,27-29,36,39H,6-7,12-14,17-19,35H2,(H,37,40)(H,42,43)/t27-,28-,29-/m0/s1
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 1.03E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324030
PNG
((S)-2-((S)-2-(dimethylamino)-3-(4-hydroxyphenyl)pr...)
Show SMILES CN(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C21H24N2O4/c1-22(2)18(11-14-7-9-17(24)10-8-14)20(25)23-13-16-6-4-3-5-15(16)12-19(23)21(26)27/h3-10,18-19,24H,11-13H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
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 1.23E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324033
PNG
((S)-2-((S)-2-(dimethylamino)-3-(4-hydroxyphenyl)pr...)
Show SMILES CN(C)[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
Show InChI InChI=1S/C21H25N3O3/c1-23(2)19(11-14-7-9-17(25)10-8-14)21(27)24-13-16-6-4-3-5-15(16)12-18(24)20(22)26/h3-10,18-19,25H,11-13H2,1-2H3,(H2,22,26)/t18-,19-/m0/s1
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 1.45E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324027
PNG
((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propa...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C32H38N4O5/c33-27(18-22-13-15-26(37)16-14-22)31(39)36-21-25-11-5-4-10-24(25)19-29(36)30(38)35-28(32(40)41)12-6-7-17-34-20-23-8-2-1-3-9-23/h1-5,8-11,13-16,27-29,34,37H,6-7,12,17-21,33H2,(H,35,38)(H,40,41)/t27-,28-,29-/m0/s1
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 1.65E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50324028
PNG
((S)-2-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dime...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C23H28N2O4/c1-14-9-18(26)10-15(2)19(14)12-20(24(3)4)22(27)25-13-17-8-6-5-7-16(17)11-21(25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20-,21-/m0/s1
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 2.44E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50272169
PNG
((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O5/c1-17-11-21(37)12-18(2)22(17)14-23(32)31(41)36-16-20-8-4-3-7-19(20)13-27(36)30(40)35-26(15-28(38)39)29-33-24-9-5-6-10-25(24)34-29/h3-12,23,26-27,37H,13-16,32H2,1-2H3,(H,33,34)(H,35,40)(H,38,39)/t23-,26-,27-/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deference

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deference

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50324023
PNG
((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C49H67N9O12/c1-25(2)41(48(69)52-24-39(51)61)58-49(70)42(26(3)4)57-45(66)36(17-18-40(62)63)54-47(68)38(21-30-11-9-8-10-12-30)55-43(64)29(7)53-46(67)37(22-31-13-15-32(59)16-14-31)56-44(65)35(50)23-34-27(5)19-33(60)20-28(34)6/h8-16,19-20,25-26,29,35-38,41-42,59-60H,17-18,21-24,50H2,1-7H3,(H2,51,61)(H,52,69)(H,53,67)(H,54,68)(H,55,64)(H,56,65)(H,57,66)(H,58,70)(H,62,63)/t29-,35+,36+,37+,38+,41+,42+/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deference

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50324024
PNG
((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(F)cc(O)cc1F)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C47H61F2N9O12/c1-23(2)39(46(69)52-22-37(51)61)58-47(70)40(24(3)4)57-43(66)34(15-16-38(62)63)54-45(68)36(17-26-9-7-6-8-10-26)55-41(64)25(5)53-44(67)35(18-27-11-13-28(59)14-12-27)56-42(65)33(50)21-30-31(48)19-29(60)20-32(30)49/h6-14,19-20,23-25,33-36,39-40,59-60H,15-18,21-22,50H2,1-5H3,(H2,51,61)(H,52,69)(H,53,67)(H,54,68)(H,55,64)(H,56,65)(H,57,66)(H,58,70)(H,62,63)/t25-,33+,34+,35+,36+,39+,40+/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deference

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50179191
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26-/m0/s1
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n/an/a 26.9n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig small intestine

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50324023
PNG
((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C49H67N9O12/c1-25(2)41(48(69)52-24-39(51)61)58-49(70)42(26(3)4)57-45(66)36(17-18-40(62)63)54-47(68)38(21-30-11-9-8-10-12-30)55-43(64)29(7)53-46(67)37(22-31-13-15-32(59)16-14-31)56-44(65)35(50)23-34-27(5)19-33(60)20-28(34)6/h8-16,19-20,25-26,29,35-38,41-42,59-60H,17-18,21-24,50H2,1-7H3,(H2,51,61)(H,52,69)(H,53,67)(H,54,68)(H,55,64)(H,56,65)(H,57,66)(H,58,70)(H,62,63)/t29-,35+,36+,37+,38+,41+,42+/m1/s1
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n/an/a 48.2n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig small intestine

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50324022
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C27H27N5O3/c28-21(13-17-9-11-20(33)12-10-17)27(35)32-16-19-6-2-1-5-18(19)14-24(32)26(34)29-15-25-30-22-7-3-4-8-23(22)31-25/h1-12,21,24,33H,13-16,28H2,(H,29,34)(H,30,31)/t21-,24-/m0/s1
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n/an/a 50.1n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deference

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50324021
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C27H25F2N5O3/c28-19-10-17(35)11-20(29)18(19)12-21(30)27(37)34-14-16-6-2-1-5-15(16)9-24(34)26(36)31-13-25-32-22-7-3-4-8-23(22)33-25/h1-8,10-11,21,24,35H,9,12-14,30H2,(H,31,36)(H,32,33)/t21-,24-/m0/s1
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n/an/a 67.3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deference

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50272169
PNG
((S)-3-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(O)=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C31H33N5O5/c1-17-11-21(37)12-18(2)22(17)14-23(32)31(41)36-16-20-8-4-3-7-19(20)13-27(36)30(40)35-26(15-28(38)39)29-33-24-9-5-6-10-25(24)34-29/h3-12,23,26-27,37H,13-16,32H2,1-2H3,(H,33,34)(H,35,40)(H,38,39)/t23-,26-,27-/m0/s1
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n/an/a 1.72E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig small intestine

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50324024
PNG
((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(F)cc(O)cc1F)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C47H61F2N9O12/c1-23(2)39(46(69)52-22-37(51)61)58-47(70)40(24(3)4)57-43(66)34(15-16-38(62)63)54-45(68)36(17-26-9-7-6-8-10-26)55-41(64)25(5)53-44(67)35(18-27-11-13-28(59)14-12-27)56-42(65)33(50)21-30-31(48)19-29(60)20-32(30)49/h6-14,19-20,23-25,33-36,39-40,59-60H,15-18,21-22,50H2,1-5H3,(H2,51,61)(H,52,69)(H,53,67)(H,54,68)(H,55,64)(H,56,65)(H,57,66)(H,58,70)(H,62,63)/t25-,33+,34+,35+,36+,39+,40+/m1/s1
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n/an/a 3.56E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig small intestine

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50324022
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C27H27N5O3/c28-21(13-17-9-11-20(33)12-10-17)27(35)32-16-19-6-2-1-5-18(19)14-24(32)26(34)29-15-25-30-22-7-3-4-8-23(22)31-25/h1-12,21,24,33H,13-16,28H2,(H,29,34)(H,30,31)/t21-,24-/m0/s1
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n/an/a 4.22E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig small intestine

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50324021
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2-((S)-2-...)
Show SMILES N[C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C27H25F2N5O3/c28-19-10-17(35)11-20(29)18(19)12-21(30)27(37)34-14-16-6-2-1-5-15(16)9-24(34)26(36)31-13-25-32-22-7-3-4-8-23(22)33-25/h1-8,10-11,21,24,35H,9,12-14,30H2,(H,31,36)(H,32,33)/t21-,24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Hartley guinea pig small intestine

Bioorg Med Chem 18: 6024-30 (2010)


Article DOI: 10.1016/j.bmc.2010.06.073
BindingDB Entry DOI: 10.7270/Q2MG7PPX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%