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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with all data for entry = 50046630   
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))
BDBM50122099
PNG
(CHEMBL3617471)
Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C53H68N8O7/c1-5-50(65)61(39-17-10-7-11-18-39)40-23-26-60(27-24-40)33-38-16-12-20-43-42(38)19-13-21-46(43)58-48(63)22-25-55-53(68)47(30-37-14-8-6-9-15-37)59-49(64)32-56-51(66)36(4)57-52(67)45(54)31-44-34(2)28-41(62)29-35(44)3/h6-12,14-18,20,28-29,36,40,45-47,62H,5,13,19,21-27,30-33,54H2,1-4H3,(H,55,68)(H,56,66)(H,57,67)(H,58,63)(H,59,64)/t36-,45+,46-,47+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122099
PNG
(CHEMBL3617471)
Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C53H68N8O7/c1-5-50(65)61(39-17-10-7-11-18-39)40-23-26-60(27-24-40)33-38-16-12-20-43-42(38)19-13-21-46(43)58-48(63)22-25-55-53(68)47(30-37-14-8-6-9-15-37)59-49(64)32-56-51(66)36(4)57-52(67)45(54)31-44-34(2)28-41(62)29-35(44)3/h6-12,14-18,20,28-29,36,40,45-47,62H,5,13,19,21-27,30-33,54H2,1-4H3,(H,55,68)(H,56,66)(H,57,67)(H,58,63)(H,59,64)/t36-,45+,46-,47+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122064
PNG
(CHEMBL3617470)
Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C51H64N8O7/c1-3-48(63)59(38-15-8-5-9-16-38)39-25-28-58(29-26-39)33-37-14-10-18-42-41(37)17-11-19-44(42)56-46(61)24-27-53-51(66)45(31-35-12-6-4-7-13-35)57-47(62)32-54-49(64)34(2)55-50(65)43(52)30-36-20-22-40(60)23-21-36/h4-10,12-16,18,20-23,34,39,43-45,60H,3,11,17,19,24-33,52H2,1-2H3,(H,53,66)(H,54,64)(H,55,65)(H,56,61)(H,57,62)/t34-,43+,44-,45+/m1/s1
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1n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122060
PNG
(CHEMBL3617469)
Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C48H59N7O6/c1-3-45(58)55(37-14-8-5-9-15-37)38-23-25-54(26-24-38)31-35-19-22-40-36(27-35)13-10-16-42(40)53-48(61)43(29-33-11-6-4-7-12-33)52-44(57)30-50-46(59)32(2)51-47(60)41(49)28-34-17-20-39(56)21-18-34/h4-9,11-12,14-15,17-22,27,32,38,41-43,56H,3,10,13,16,23-26,28-31,49H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)(H,53,61)/t32-,41+,42-,43+/m1/s1
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3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122052
PNG
(CHEMBL3617468)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(38-14-8-5-9-15-38)39-24-27-55(28-25-39)26-23-36-19-22-41-37(29-36)13-10-16-43(41)54-49(62)44(31-34-11-6-4-7-12-34)53-45(58)32-51-47(60)33(2)52-48(61)42(50)30-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,29,33,39,42-44,57H,3,10,13,16,23-28,30-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1
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10n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122051
PNG
(CHEMBL3617467)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(39-14-8-5-9-15-39)32-36-23-25-55(26-24-36)31-37-19-22-41-38(27-37)13-10-16-43(41)54-49(62)44(29-34-11-6-4-7-12-34)53-45(58)30-51-47(60)33(2)52-48(61)42(50)28-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,27,33,36,42-44,57H,3,10,13,16,23-26,28-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1
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10n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122064
PNG
(CHEMBL3617470)
Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C51H64N8O7/c1-3-48(63)59(38-15-8-5-9-16-38)39-25-28-58(29-26-39)33-37-14-10-18-42-41(37)17-11-19-44(42)56-46(61)24-27-53-51(66)45(31-35-12-6-4-7-13-35)57-47(62)32-54-49(64)34(2)55-50(65)43(52)30-36-20-22-40(60)23-21-36/h4-10,12-16,18,20-23,34,39,43-45,60H,3,11,17,19,24-33,52H2,1-2H3,(H,53,66)(H,54,64)(H,55,65)(H,56,61)(H,57,62)/t34-,43+,44-,45+/m1/s1
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34n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122045
PNG
(CHEMBL3614086)
Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H33N3O/c1-2-25(29)28(21-8-4-3-5-9-21)22-13-15-27(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)26/h3-5,8-9,11-12,17,22,24H,2,6-7,10,13-16,18,26H2,1H3/t24-/m1/s1
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40n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122103
PNG
(CHEMBL3617472)
Show SMILES C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C27H34N6O8/c1-15(25(39)30-14-22(35)32-20(24(29)38)12-16-5-3-2-4-6-16)31-27(41)21(13-23(36)37)33-26(40)19(28)11-17-7-9-18(34)10-8-17/h2-10,15,19-21,34H,11-14,28H2,1H3,(H2,29,38)(H,30,39)(H,31,41)(H,32,35)(H,33,40)(H,36,37)/t15-,19-,20-,21-/m0/s1
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300n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122051
PNG
(CHEMBL3617467)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(39-14-8-5-9-15-39)32-36-23-25-55(26-24-36)31-37-19-22-41-38(27-37)13-10-16-43(41)54-49(62)44(29-34-11-6-4-7-12-34)53-45(58)30-51-47(60)33(2)52-48(61)42(50)28-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,27,33,36,42-44,57H,3,10,13,16,23-26,28-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1
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320n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122060
PNG
(CHEMBL3617469)
Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C48H59N7O6/c1-3-45(58)55(37-14-8-5-9-15-37)38-23-25-54(26-24-38)31-35-19-22-40-36(27-35)13-10-16-42(40)53-48(61)43(29-33-11-6-4-7-12-33)52-44(57)30-50-46(59)32(2)51-47(60)41(49)28-34-17-20-39(56)21-18-34/h4-9,11-12,14-15,17-22,27,32,38,41-43,56H,3,10,13,16,23-26,28-31,49H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)(H,53,61)/t32-,41+,42-,43+/m1/s1
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370n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
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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570n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122037
PNG
(CHEMBL3614082)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(23-8-4-3-5-9-23)19-20-13-15-28(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)27/h3-5,8-9,11-12,17,20,25H,2,6-7,10,13-16,18-19,27H2,1H3/t25-/m1/s1
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580n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122052
PNG
(CHEMBL3617468)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(38-14-8-5-9-15-38)39-24-27-55(28-25-39)26-23-36-19-22-41-37(29-36)13-10-16-43(41)54-49(62)44(31-34-11-6-4-7-12-34)53-45(58)32-51-47(60)33(2)52-48(61)42(50)30-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,29,33,39,42-44,57H,3,10,13,16,23-28,30-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1
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720n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122038
PNG
(CHEMBL3614059)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(22-8-4-3-5-9-22)23-14-17-28(18-15-23)16-13-20-11-12-24-21(19-20)7-6-10-25(24)27/h3-5,8-9,11-12,19,23,25H,2,6-7,10,13-18,27H2,1H3/t25-/m1/s1
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760n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122037
PNG
(CHEMBL3614082)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(23-8-4-3-5-9-23)19-20-13-15-28(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)27/h3-5,8-9,11-12,17,20,25H,2,6-7,10,13-16,18-19,27H2,1H3/t25-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122038
PNG
(CHEMBL3614059)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(22-8-4-3-5-9-22)23-14-17-28(18-15-23)16-13-20-11-12-24-21(19-20)7-6-10-25(24)27/h3-5,8-9,11-12,19,23,25H,2,6-7,10,13-18,27H2,1H3/t25-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122045
PNG
(CHEMBL3614086)
Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H33N3O/c1-2-25(29)28(21-8-4-3-5-9-21)22-13-15-27(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)26/h3-5,8-9,11-12,17,22,24H,2,6-7,10,13-16,18,26H2,1H3/t24-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122037
PNG
(CHEMBL3614082)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(23-8-4-3-5-9-23)19-20-13-15-28(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)27/h3-5,8-9,11-12,17,20,25H,2,6-7,10,13-16,18-19,27H2,1H3/t25-/m1/s1
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n/an/a 0.275n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122099
PNG
(CHEMBL3617471)
Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C53H68N8O7/c1-5-50(65)61(39-17-10-7-11-18-39)40-23-26-60(27-24-40)33-38-16-12-20-43-42(38)19-13-21-46(43)58-48(63)22-25-55-53(68)47(30-37-14-8-6-9-15-37)59-49(64)32-56-51(66)36(4)57-52(67)45(54)31-44-34(2)28-41(62)29-35(44)3/h6-12,14-18,20,28-29,36,40,45-47,62H,5,13,19,21-27,30-33,54H2,1-4H3,(H,55,68)(H,56,66)(H,57,67)(H,58,63)(H,59,64)/t36-,45+,46-,47+/m1/s1
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n/an/a 0.275n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50122103
PNG
(CHEMBL3617472)
Show SMILES C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C27H34N6O8/c1-15(25(39)30-14-22(35)32-20(24(29)38)12-16-5-3-2-4-6-16)31-27(41)21(13-23(36)37)33-26(40)19(28)11-17-7-9-18(34)10-8-17/h2-10,15,19-21,34H,11-14,28H2,1H3,(H2,29,38)(H,30,39)(H,31,41)(H,32,35)(H,33,40)(H,36,37)/t15-,19-,20-,21-/m0/s1
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n/an/a 0.720n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122099
PNG
(CHEMBL3617471)
Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C53H68N8O7/c1-5-50(65)61(39-17-10-7-11-18-39)40-23-26-60(27-24-40)33-38-16-12-20-43-42(38)19-13-21-46(43)58-48(63)22-25-55-53(68)47(30-37-14-8-6-9-15-37)59-49(64)32-56-51(66)36(4)57-52(67)45(54)31-44-34(2)28-41(62)29-35(44)3/h6-12,14-18,20,28-29,36,40,45-47,62H,5,13,19,21-27,30-33,54H2,1-4H3,(H,55,68)(H,56,66)(H,57,67)(H,58,63)(H,59,64)/t36-,45+,46-,47+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122064
PNG
(CHEMBL3617470)
Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C51H64N8O7/c1-3-48(63)59(38-15-8-5-9-16-38)39-25-28-58(29-26-39)33-37-14-10-18-42-41(37)17-11-19-44(42)56-46(61)24-27-53-51(66)45(31-35-12-6-4-7-13-35)57-47(62)32-54-49(64)34(2)55-50(65)43(52)30-36-20-22-40(60)23-21-36/h4-10,12-16,18,20-23,34,39,43-45,60H,3,11,17,19,24-33,52H2,1-2H3,(H,53,66)(H,54,64)(H,55,65)(H,56,61)(H,57,62)/t34-,43+,44-,45+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
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 3.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50122099
PNG
(CHEMBL3617471)
Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C53H68N8O7/c1-5-50(65)61(39-17-10-7-11-18-39)40-23-26-60(27-24-40)33-38-16-12-20-43-42(38)19-13-21-46(43)58-48(63)22-25-55-53(68)47(30-37-14-8-6-9-15-37)59-49(64)32-56-51(66)36(4)57-52(67)45(54)31-44-34(2)28-41(62)29-35(44)3/h6-12,14-18,20,28-29,36,40,45-47,62H,5,13,19,21-27,30-33,54H2,1-4H3,(H,55,68)(H,56,66)(H,57,67)(H,58,63)(H,59,64)/t36-,45+,46-,47+/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122060
PNG
(CHEMBL3617469)
Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C48H59N7O6/c1-3-45(58)55(37-14-8-5-9-15-37)38-23-25-54(26-24-38)31-35-19-22-40-36(27-35)13-10-16-42(40)53-48(61)43(29-33-11-6-4-7-12-33)52-44(57)30-50-46(59)32(2)51-47(60)41(49)28-34-17-20-39(56)21-18-34/h4-9,11-12,14-15,17-22,27,32,38,41-43,56H,3,10,13,16,23-26,28-31,49H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)(H,53,61)/t32-,41+,42-,43+/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
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 9.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50122064
PNG
(CHEMBL3617470)
Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C51H64N8O7/c1-3-48(63)59(38-15-8-5-9-16-38)39-25-28-58(29-26-39)33-37-14-10-18-42-41(37)17-11-19-44(42)56-46(61)24-27-53-51(66)45(31-35-12-6-4-7-13-35)57-47(62)32-54-49(64)34(2)55-50(65)43(52)30-36-20-22-40(60)23-21-36/h4-10,12-16,18,20-23,34,39,43-45,60H,3,11,17,19,24-33,52H2,1-2H3,(H,53,66)(H,54,64)(H,55,65)(H,56,61)(H,57,62)/t34-,43+,44-,45+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122051
PNG
(CHEMBL3617467)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(39-14-8-5-9-15-39)32-36-23-25-55(26-24-36)31-37-19-22-41-38(27-37)13-10-16-43(41)54-49(62)44(29-34-11-6-4-7-12-34)53-45(58)30-51-47(60)33(2)52-48(61)42(50)28-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,27,33,36,42-44,57H,3,10,13,16,23-26,28-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122052
PNG
(CHEMBL3617468)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(38-14-8-5-9-15-38)39-24-27-55(28-25-39)26-23-36-19-22-41-37(29-36)13-10-16-43(41)54-49(62)44(31-34-11-6-4-7-12-34)53-45(58)32-51-47(60)33(2)52-48(61)42(50)30-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,29,33,39,42-44,57H,3,10,13,16,23-28,30-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50122103
PNG
(CHEMBL3617472)
Show SMILES C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C27H34N6O8/c1-15(25(39)30-14-22(35)32-20(24(29)38)12-16-5-3-2-4-6-16)31-27(41)21(13-23(36)37)33-26(40)19(28)11-17-7-9-18(34)10-8-17/h2-10,15,19-21,34H,11-14,28H2,1H3,(H2,29,38)(H,30,39)(H,31,41)(H,32,35)(H,33,40)(H,36,37)/t15-,19-,20-,21-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50122099
PNG
(CHEMBL3617471)
Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C53H68N8O7/c1-5-50(65)61(39-17-10-7-11-18-39)40-23-26-60(27-24-40)33-38-16-12-20-43-42(38)19-13-21-46(43)58-48(63)22-25-55-53(68)47(30-37-14-8-6-9-15-37)59-49(64)32-56-51(66)36(4)57-52(67)45(54)31-44-34(2)28-41(62)29-35(44)3/h6-12,14-18,20,28-29,36,40,45-47,62H,5,13,19,21-27,30-33,54H2,1-4H3,(H,55,68)(H,56,66)(H,57,67)(H,58,63)(H,59,64)/t36-,45+,46-,47+/m1/s1
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n/an/a 56n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122064
PNG
(CHEMBL3617470)
Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C51H64N8O7/c1-3-48(63)59(38-15-8-5-9-16-38)39-25-28-58(29-26-39)33-37-14-10-18-42-41(37)17-11-19-44(42)56-46(61)24-27-53-51(66)45(31-35-12-6-4-7-13-35)57-47(62)32-54-49(64)34(2)55-50(65)43(52)30-36-20-22-40(60)23-21-36/h4-10,12-16,18,20-23,34,39,43-45,60H,3,11,17,19,24-33,52H2,1-2H3,(H,53,66)(H,54,64)(H,55,65)(H,56,61)(H,57,62)/t34-,43+,44-,45+/m1/s1
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n/an/a 72n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122045
PNG
(CHEMBL3614086)
Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H33N3O/c1-2-25(29)28(21-8-4-3-5-9-21)22-13-15-27(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)26/h3-5,8-9,11-12,17,22,24H,2,6-7,10,13-16,18,26H2,1H3/t24-/m1/s1
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n/an/a 95n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50122052
PNG
(CHEMBL3617468)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(38-14-8-5-9-15-38)39-24-27-55(28-25-39)26-23-36-19-22-41-37(29-36)13-10-16-43(41)54-49(62)44(31-34-11-6-4-7-12-34)53-45(58)32-51-47(60)33(2)52-48(61)42(50)30-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,29,33,39,42-44,57H,3,10,13,16,23-28,30-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50122064
PNG
(CHEMBL3617470)
Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C51H64N8O7/c1-3-48(63)59(38-15-8-5-9-16-38)39-25-28-58(29-26-39)33-37-14-10-18-42-41(37)17-11-19-44(42)56-46(61)24-27-53-51(66)45(31-35-12-6-4-7-13-35)57-47(62)32-54-49(64)34(2)55-50(65)43(52)30-36-20-22-40(60)23-21-36/h4-10,12-16,18,20-23,34,39,43-45,60H,3,11,17,19,24-33,52H2,1-2H3,(H,53,66)(H,54,64)(H,55,65)(H,56,61)(H,57,62)/t34-,43+,44-,45+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50122051
PNG
(CHEMBL3617467)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(39-14-8-5-9-15-39)32-36-23-25-55(26-24-36)31-37-19-22-41-38(27-37)13-10-16-43(41)54-49(62)44(29-34-11-6-4-7-12-34)53-45(58)30-51-47(60)33(2)52-48(61)42(50)28-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,27,33,36,42-44,57H,3,10,13,16,23-26,28-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50122060
PNG
(CHEMBL3617469)
Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C48H59N7O6/c1-3-45(58)55(37-14-8-5-9-15-37)38-23-25-54(26-24-38)31-35-19-22-40-36(27-35)13-10-16-42(40)53-48(61)43(29-33-11-6-4-7-12-33)52-44(57)30-50-46(59)32(2)51-47(60)41(49)28-34-17-20-39(56)21-18-34/h4-9,11-12,14-15,17-22,27,32,38,41-43,56H,3,10,13,16,23-26,28-31,49H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)(H,53,61)/t32-,41+,42-,43+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50122051
PNG
(CHEMBL3617467)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(39-14-8-5-9-15-39)32-36-23-25-55(26-24-36)31-37-19-22-41-38(27-37)13-10-16-43(41)54-49(62)44(29-34-11-6-4-7-12-34)53-45(58)30-51-47(60)33(2)52-48(61)42(50)28-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,27,33,36,42-44,57H,3,10,13,16,23-26,28-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50122052
PNG
(CHEMBL3617468)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(38-14-8-5-9-15-38)39-24-27-55(28-25-39)26-23-36-19-22-41-37(29-36)13-10-16-43(41)54-49(62)44(31-34-11-6-4-7-12-34)53-45(58)32-51-47(60)33(2)52-48(61)42(50)30-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,29,33,39,42-44,57H,3,10,13,16,23-28,30-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122051
PNG
(CHEMBL3617467)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(39-14-8-5-9-15-39)32-36-23-25-55(26-24-36)31-37-19-22-41-38(27-37)13-10-16-43(41)54-49(62)44(29-34-11-6-4-7-12-34)53-45(58)30-51-47(60)33(2)52-48(61)42(50)28-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,27,33,36,42-44,57H,3,10,13,16,23-26,28-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1
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n/an/a 692n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122060
PNG
(CHEMBL3617469)
Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C48H59N7O6/c1-3-45(58)55(37-14-8-5-9-15-37)38-23-25-54(26-24-38)31-35-19-22-40-36(27-35)13-10-16-42(40)53-48(61)43(29-33-11-6-4-7-12-33)52-44(57)30-50-46(59)32(2)51-47(60)41(49)28-34-17-20-39(56)21-18-34/h4-9,11-12,14-15,17-22,27,32,38,41-43,56H,3,10,13,16,23-26,28-31,49H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)(H,53,61)/t32-,41+,42-,43+/m1/s1
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n/an/a 794n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50122060
PNG
(CHEMBL3617469)
Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C48H59N7O6/c1-3-45(58)55(37-14-8-5-9-15-37)38-23-25-54(26-24-38)31-35-19-22-40-36(27-35)13-10-16-42(40)53-48(61)43(29-33-11-6-4-7-12-33)52-44(57)30-50-46(59)32(2)51-47(60)41(49)28-34-17-20-39(56)21-18-34/h4-9,11-12,14-15,17-22,27,32,38,41-43,56H,3,10,13,16,23-26,28-31,49H2,1-2H3,(H,50,59)(H,51,60)(H,52,57)(H,53,61)/t32-,41+,42-,43+/m1/s1
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n/an/a 910n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50122045
PNG
(CHEMBL3614086)
Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H33N3O/c1-2-25(29)28(21-8-4-3-5-9-21)22-13-15-27(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)26/h3-5,8-9,11-12,17,22,24H,2,6-7,10,13-16,18,26H2,1H3/t24-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
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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n/an/a 1.26E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122037
PNG
(CHEMBL3614082)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(23-8-4-3-5-9-23)19-20-13-15-28(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)27/h3-5,8-9,11-12,17,20,25H,2,6-7,10,13-16,18-19,27H2,1H3/t25-/m1/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122052
PNG
(CHEMBL3617468)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc3[C@@H](CCCc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C49H61N7O6/c1-3-46(59)56(38-14-8-5-9-15-38)39-24-27-55(28-25-39)26-23-36-19-22-41-37(29-36)13-10-16-43(41)54-49(62)44(31-34-11-6-4-7-12-34)53-45(58)32-51-47(60)33(2)52-48(61)42(50)30-35-17-20-40(57)21-18-35/h4-9,11-12,14-15,17-22,29,33,39,42-44,57H,3,10,13,16,23-28,30-32,50H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)(H,54,62)/t33-,42+,43-,44+/m1/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122038
PNG
(CHEMBL3614059)
Show SMILES CCC(=O)N(C1CCN(CCc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(22-8-4-3-5-9-22)23-14-17-28(18-15-23)16-13-20-11-12-24-21(19-20)7-6-10-25(24)27/h3-5,8-9,11-12,19,23,25H,2,6-7,10,13-18,27H2,1H3/t25-/m1/s1
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n/an/a 1.74E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50122103
PNG
(CHEMBL3617472)
Show SMILES C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C27H34N6O8/c1-15(25(39)30-14-22(35)32-20(24(29)38)12-16-5-3-2-4-6-16)31-27(41)21(13-23(36)37)33-26(40)19(28)11-17-7-9-18(34)10-8-17/h2-10,15,19-21,34H,11-14,28H2,1H3,(H2,29,38)(H,30,39)(H,31,41)(H,32,35)(H,33,40)(H,36,37)/t15-,19-,20-,21-/m0/s1
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n/an/a 1.58E+6n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair