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PubMed code 26611918

Compile data set for download or QSAR
Found 45 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


(Homo sapiens (Human))		BDBM50500612
PNG
(CHEMBL3754081)
Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C40H51N5O7/c1-5-37(48)45(30-16-10-7-11-17-30)25-31-18-12-13-19-44(31)35(22-29-14-8-6-9-15-29)39(50)41-24-36(47)42-28(4)38(49)43-34(40(51)52)23-33-26(2)20-32(46)21-27(33)3/h6-11,14-17,20-21,28,31,34-35,46H,5,12-13,18-19,22-25H2,1-4H3,(H,41,50)(H,42,47)(H,43,49)(H,51,52)/t28-,31?,34+,35+/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500608
PNG
(CHEMBL3753711)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C54H69N7O8/c1-5-51(65)61(41-18-10-7-11-19-41)34-42-20-12-13-26-60(42)33-39-22-23-44-40(29-39)17-14-21-46(44)55-25-24-49(63)58-47(30-38-15-8-6-9-16-38)53(67)56-32-50(64)57-37(4)52(66)59-48(54(68)69)31-45-35(2)27-43(62)28-36(45)3/h6-11,15-16,18-19,22-23,27-29,37,42,46-48,55,62H,5,12-14,17,20-21,24-26,30-34H2,1-4H3,(H,56,67)(H,57,64)(H,58,63)(H,59,66)(H,68,69)/t37-,42?,46-,47+,48+/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500605
PNG
(CHEMBL3752798)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C82H103N11O15/c1-8-76(100)93(60-26-16-11-17-27-60)49-61-28-18-19-34-92(61)48-58-30-31-64-59(41-58)25-20-29-71(64)91(35-32-72(96)87-67(42-56-21-12-9-13-22-56)79(103)83-46-74(98)85-54(6)77(101)89-69(81(105)106)44-65-50(2)37-62(94)38-51(65)3)36-33-73(97)88-68(43-57-23-14-10-15-24-57)80(104)84-47-75(99)86-55(7)78(102)90-70(82(107)108)45-66-52(4)39-63(95)40-53(66)5/h9-17,21-24,26-27,30-31,37-41,54-55,61,67-71,94-95H,8,18-20,25,28-29,32-36,42-49H2,1-7H3,(H,83,103)(H,84,104)(H,85,98)(H,86,99)(H,87,96)(H,88,97)(H,89,101)(H,90,102)(H,105,106)(H,107,108)/t54-,55-,61?,67+,68+,69+,70+,71-/m1/s1
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 0.600n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500605
PNG
(CHEMBL3752798)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C82H103N11O15/c1-8-76(100)93(60-26-16-11-17-27-60)49-61-28-18-19-34-92(61)48-58-30-31-64-59(41-58)25-20-29-71(64)91(35-32-72(96)87-67(42-56-21-12-9-13-22-56)79(103)83-46-74(98)85-54(6)77(101)89-69(81(105)106)44-65-50(2)37-62(94)38-51(65)3)36-33-73(97)88-68(43-57-23-14-10-15-24-57)80(104)84-47-75(99)86-55(7)78(102)90-70(82(107)108)45-66-52(4)39-63(95)40-53(66)5/h9-17,21-24,26-27,30-31,37-41,54-55,61,67-71,94-95H,8,18-20,25,28-29,32-36,42-49H2,1-7H3,(H,83,103)(H,84,104)(H,85,98)(H,86,99)(H,87,96)(H,88,97)(H,89,101)(H,90,102)(H,105,106)(H,107,108)/t54-,55-,61?,67+,68+,69+,70+,71-/m1/s1
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 0.600n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500608
PNG
(CHEMBL3753711)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C54H69N7O8/c1-5-51(65)61(41-18-10-7-11-19-41)34-42-20-12-13-26-60(42)33-39-22-23-44-40(29-39)17-14-21-46(44)55-25-24-49(63)58-47(30-38-15-8-6-9-16-38)53(67)56-32-50(64)57-37(4)52(66)59-48(54(68)69)31-45-35(2)27-43(62)28-36(45)3/h6-11,15-16,18-19,22-23,27-29,37,42,46-48,55,62H,5,12-14,17,20-21,24-26,30-34H2,1-4H3,(H,56,67)(H,57,64)(H,58,63)(H,59,66)(H,68,69)/t37-,42?,46-,47+,48+/m1/s1
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 0.700n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500612
PNG
(CHEMBL3754081)
Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C40H51N5O7/c1-5-37(48)45(30-16-10-7-11-17-30)25-31-18-12-13-19-44(31)35(22-29-14-8-6-9-15-29)39(50)41-24-36(47)42-28(4)38(49)43-34(40(51)52)23-33-26(2)20-32(46)21-27(33)3/h6-11,14-17,20-21,28,31,34-35,46H,5,12-13,18-19,22-25H2,1-4H3,(H,41,50)(H,42,47)(H,43,49)(H,51,52)/t28-,31?,34+,35+/m1/s1
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 0.800n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500609
PNG
(CHEMBL3754056)
Show SMILES CCC(=O)N(CC1CCCCN1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C43H56N6O8/c1-5-40(53)49(32-16-10-7-11-17-32)27-33-18-12-13-20-48(33)21-19-38(51)46-36(24-31-14-8-6-9-15-31)42(55)44-26-39(52)45-30(4)41(54)47-37(43(56)57)25-35-28(2)22-34(50)23-29(35)3/h6-11,14-17,22-23,30,33,36-37,50H,5,12-13,18-21,24-27H2,1-4H3,(H,44,55)(H,45,52)(H,46,51)(H,47,54)(H,56,57)/t30-,33?,36+,37+/m1/s1
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 0.900n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500611
PNG
(CHEMBL4299482)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C49H60N6O7/c1-3-46(58)55(38-16-8-5-9-17-38)32-39-18-10-11-26-54(39)31-36-22-25-41-37(27-36)15-12-19-42(41)52-43(28-34-13-6-4-7-14-34)48(60)50-30-45(57)51-33(2)47(59)53-44(49(61)62)29-35-20-23-40(56)24-21-35/h4-9,13-14,16-17,20-25,27,33,39,42-44,52,56H,3,10-12,15,18-19,26,28-32H2,1-2H3,(H,50,60)(H,51,57)(H,53,59)(H,61,62)/t33-,39?,42-,43-,44+/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 mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500609
PNG
(CHEMBL3754056)
Show SMILES CCC(=O)N(CC1CCCCN1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C43H56N6O8/c1-5-40(53)49(32-16-10-7-11-17-32)27-33-18-12-13-20-48(33)21-19-38(51)46-36(24-31-14-8-6-9-15-31)42(55)44-26-39(52)45-30(4)41(54)47-37(43(56)57)25-35-28(2)22-34(50)23-29(35)3/h6-11,14-17,22-23,30,33,36-37,50H,5,12-13,18-21,24-27H2,1-4H3,(H,44,55)(H,45,52)(H,46,51)(H,47,54)(H,56,57)/t30-,33?,36+,37+/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500606
PNG
(CHEMBL3752678)
Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C38H47N5O7/c1-3-35(46)43(29-14-8-5-9-15-29)25-30-16-10-11-21-42(30)33(23-27-12-6-4-7-13-27)37(48)39-24-34(45)40-26(2)36(47)41-32(38(49)50)22-28-17-19-31(44)20-18-28/h4-9,12-15,17-20,26,30,32-33,44H,3,10-11,16,21-25H2,1-2H3,(H,39,48)(H,40,45)(H,41,47)(H,49,50)/t26-,30?,32+,33+/m1/s1
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 2n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500606
PNG
(CHEMBL3752678)
Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C38H47N5O7/c1-3-35(46)43(29-14-8-5-9-15-29)25-30-16-10-11-21-42(30)33(23-27-12-6-4-7-13-27)37(48)39-24-34(45)40-26(2)36(47)41-32(38(49)50)22-28-17-19-31(44)20-18-28/h4-9,12-15,17-20,26,30,32-33,44H,3,10-11,16,21-25H2,1-2H3,(H,39,48)(H,40,45)(H,41,47)(H,49,50)/t26-,30?,32+,33+/m1/s1
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 2n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500607
PNG
(CHEMBL3752260)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C26H33F2N3O/c1-2-26(32)31(20-10-12-23(27)24(28)15-20)17-21-7-3-4-13-30(21)16-18-9-11-22-19(14-18)6-5-8-25(22)29/h9-12,14-15,21,25H,2-8,13,16-17,29H2,1H3/t21?,25-/m1/s1
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 33n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500610
PNG
(CHEMBL3754245)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(22-10-4-3-5-11-22)19-23-12-6-7-16-28(23)18-20-14-15-24-21(17-20)9-8-13-25(24)27/h3-5,10-11,14-15,17,23,25H,2,6-9,12-13,16,18-19,27H2,1H3/t23?,25-/m1/s1
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 69n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500611
PNG
(CHEMBL4299482)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C49H60N6O7/c1-3-46(58)55(38-16-8-5-9-17-38)32-39-18-10-11-26-54(39)31-36-22-25-41-37(27-36)15-12-19-42(41)52-43(28-34-13-6-4-7-14-34)48(60)50-30-45(57)51-33(2)47(59)53-44(49(61)62)29-35-20-23-40(56)24-21-35/h4-9,13-14,16-17,20-25,27,33,39,42-44,52,56H,3,10-12,15,18-19,26,28-32H2,1-2H3,(H,50,60)(H,51,57)(H,53,59)(H,61,62)/t33-,39?,42-,43-,44+/m1/s1
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 160n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500610
PNG
(CHEMBL3754245)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(22-10-4-3-5-11-22)19-23-12-6-7-16-28(23)18-20-14-15-24-21(17-20)9-8-13-25(24)27/h3-5,10-11,14-15,17,23,25H,2,6-9,12-13,16,18-19,27H2,1H3/t23?,25-/m1/s1
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 5.20E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500607
PNG
(CHEMBL3752260)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C26H33F2N3O/c1-2-26(32)31(20-10-12-23(27)24(28)15-20)17-21-7-3-4-13-30(21)16-18-9-11-22-19(14-18)6-5-8-25(22)29/h9-12,14-15,21,25H,2-8,13,16-17,29H2,1H3/t21?,25-/m1/s1
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 9.00E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500609
PNG
(CHEMBL3754056)
Show SMILES CCC(=O)N(CC1CCCCN1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C43H56N6O8/c1-5-40(53)49(32-16-10-7-11-17-32)27-33-18-12-13-20-48(33)21-19-38(51)46-36(24-31-14-8-6-9-15-31)42(55)44-26-39(52)45-30(4)41(54)47-37(43(56)57)25-35-28(2)22-34(50)23-29(35)3/h6-11,14-17,22-23,30,33,36-37,50H,5,12-13,18-21,24-27H2,1-4H3,(H,44,55)(H,45,52)(H,46,51)(H,47,54)(H,56,57)/t30-,33?,36+,37+/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 mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50500609
PNG
(CHEMBL3754056)
Show SMILES CCC(=O)N(CC1CCCCN1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C43H56N6O8/c1-5-40(53)49(32-16-10-7-11-17-32)27-33-18-12-13-20-48(33)21-19-38(51)46-36(24-31-14-8-6-9-15-31)42(55)44-26-39(52)45-30(4)41(54)47-37(43(56)57)25-35-28(2)22-34(50)23-29(35)3/h6-11,14-17,22-23,30,33,36-37,50H,5,12-13,18-21,24-27H2,1-4H3,(H,44,55)(H,45,52)(H,46,51)(H,47,54)(H,56,57)/t30-,33?,36+,37+/m1/s1
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n/an/a 0.450n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50500612
PNG
(CHEMBL3754081)
Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C40H51N5O7/c1-5-37(48)45(30-16-10-7-11-17-30)25-31-18-12-13-19-44(31)35(22-29-14-8-6-9-15-29)39(50)41-24-36(47)42-28(4)38(49)43-34(40(51)52)23-33-26(2)20-32(46)21-27(33)3/h6-11,14-17,20-21,28,31,34-35,46H,5,12-13,18-19,22-25H2,1-4H3,(H,41,50)(H,42,47)(H,43,49)(H,51,52)/t28-,31?,34+,35+/m1/s1
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n/an/a 0.470n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500612
PNG
(CHEMBL3754081)
Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C40H51N5O7/c1-5-37(48)45(30-16-10-7-11-17-30)25-31-18-12-13-19-44(31)35(22-29-14-8-6-9-15-29)39(50)41-24-36(47)42-28(4)38(49)43-34(40(51)52)23-33-26(2)20-32(46)21-27(33)3/h6-11,14-17,20-21,28,31,34-35,46H,5,12-13,18-19,22-25H2,1-4H3,(H,41,50)(H,42,47)(H,43,49)(H,51,52)/t28-,31?,34+,35+/m1/s1
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n/an/a 0.525n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50500612
PNG
(CHEMBL3754081)
Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C40H51N5O7/c1-5-37(48)45(30-16-10-7-11-17-30)25-31-18-12-13-19-44(31)35(22-29-14-8-6-9-15-29)39(50)41-24-36(47)42-28(4)38(49)43-34(40(51)52)23-33-26(2)20-32(46)21-27(33)3/h6-11,14-17,20-21,28,31,34-35,46H,5,12-13,18-19,22-25H2,1-4H3,(H,41,50)(H,42,47)(H,43,49)(H,51,52)/t28-,31?,34+,35+/m1/s1
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n/an/a 0.730n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500608
PNG
(CHEMBL3753711)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C54H69N7O8/c1-5-51(65)61(41-18-10-7-11-19-41)34-42-20-12-13-26-60(42)33-39-22-23-44-40(29-39)17-14-21-46(44)55-25-24-49(63)58-47(30-38-15-8-6-9-16-38)53(67)56-32-50(64)57-37(4)52(66)59-48(54(68)69)31-45-35(2)27-43(62)28-36(45)3/h6-11,15-16,18-19,22-23,27-29,37,42,46-48,55,62H,5,12-14,17,20-21,24-26,30-34H2,1-4H3,(H,56,67)(H,57,64)(H,58,63)(H,59,66)(H,68,69)/t37-,42?,46-,47+,48+/m1/s1
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n/an/a 0.794n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500609
PNG
(CHEMBL3754056)
Show SMILES CCC(=O)N(CC1CCCCN1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C43H56N6O8/c1-5-40(53)49(32-16-10-7-11-17-32)27-33-18-12-13-20-48(33)21-19-38(51)46-36(24-31-14-8-6-9-15-31)42(55)44-26-39(52)45-30(4)41(54)47-37(43(56)57)25-35-28(2)22-34(50)23-29(35)3/h6-11,14-17,22-23,30,33,36-37,50H,5,12-13,18-21,24-27H2,1-4H3,(H,44,55)(H,45,52)(H,46,51)(H,47,54)(H,56,57)/t30-,33?,36+,37+/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]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500605
PNG
(CHEMBL3752798)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C82H103N11O15/c1-8-76(100)93(60-26-16-11-17-27-60)49-61-28-18-19-34-92(61)48-58-30-31-64-59(41-58)25-20-29-71(64)91(35-32-72(96)87-67(42-56-21-12-9-13-22-56)79(103)83-46-74(98)85-54(6)77(101)89-69(81(105)106)44-65-50(2)37-62(94)38-51(65)3)36-33-73(97)88-68(43-57-23-14-10-15-24-57)80(104)84-47-75(99)86-55(7)78(102)90-70(82(107)108)45-66-52(4)39-63(95)40-53(66)5/h9-17,21-24,26-27,30-31,37-41,54-55,61,67-71,94-95H,8,18-20,25,28-29,32-36,42-49H2,1-7H3,(H,83,103)(H,84,104)(H,85,98)(H,86,99)(H,87,96)(H,88,97)(H,89,101)(H,90,102)(H,105,106)(H,107,108)/t54-,55-,61?,67+,68+,69+,70+,71-/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 mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500605
PNG
(CHEMBL3752798)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C82H103N11O15/c1-8-76(100)93(60-26-16-11-17-27-60)49-61-28-18-19-34-92(61)48-58-30-31-64-59(41-58)25-20-29-71(64)91(35-32-72(96)87-67(42-56-21-12-9-13-22-56)79(103)83-46-74(98)85-54(6)77(101)89-69(81(105)106)44-65-50(2)37-62(94)38-51(65)3)36-33-73(97)88-68(43-57-23-14-10-15-24-57)80(104)84-47-75(99)86-55(7)78(102)90-70(82(107)108)45-66-52(4)39-63(95)40-53(66)5/h9-17,21-24,26-27,30-31,37-41,54-55,61,67-71,94-95H,8,18-20,25,28-29,32-36,42-49H2,1-7H3,(H,83,103)(H,84,104)(H,85,98)(H,86,99)(H,87,96)(H,88,97)(H,89,101)(H,90,102)(H,105,106)(H,107,108)/t54-,55-,61?,67+,68+,69+,70+,71-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500608
PNG
(CHEMBL3753711)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C54H69N7O8/c1-5-51(65)61(41-18-10-7-11-19-41)34-42-20-12-13-26-60(42)33-39-22-23-44-40(29-39)17-14-21-46(44)55-25-24-49(63)58-47(30-38-15-8-6-9-16-38)53(67)56-32-50(64)57-37(4)52(66)59-48(54(68)69)31-45-35(2)27-43(62)28-36(45)3/h6-11,15-16,18-19,22-23,27-29,37,42,46-48,55,62H,5,12-14,17,20-21,24-26,30-34H2,1-4H3,(H,56,67)(H,57,64)(H,58,63)(H,59,66)(H,68,69)/t37-,42?,46-,47+,48+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500612
PNG
(CHEMBL3754081)
Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C40H51N5O7/c1-5-37(48)45(30-16-10-7-11-17-30)25-31-18-12-13-19-44(31)35(22-29-14-8-6-9-15-29)39(50)41-24-36(47)42-28(4)38(49)43-34(40(51)52)23-33-26(2)20-32(46)21-27(33)3/h6-11,14-17,20-21,28,31,34-35,46H,5,12-13,18-19,22-25H2,1-4H3,(H,41,50)(H,42,47)(H,43,49)(H,51,52)/t28-,31?,34+,35+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500611
PNG
(CHEMBL4299482)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C49H60N6O7/c1-3-46(58)55(38-16-8-5-9-17-38)32-39-18-10-11-26-54(39)31-36-22-25-41-37(27-36)15-12-19-42(41)52-43(28-34-13-6-4-7-14-34)48(60)50-30-45(57)51-33(2)47(59)53-44(49(61)62)29-35-20-23-40(56)24-21-35/h4-9,13-14,16-17,20-25,27,33,39,42-44,52,56H,3,10-12,15,18-19,26,28-32H2,1-2H3,(H,50,60)(H,51,57)(H,53,59)(H,61,62)/t33-,39?,42-,43-,44+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50500605
PNG
(CHEMBL3752798)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C82H103N11O15/c1-8-76(100)93(60-26-16-11-17-27-60)49-61-28-18-19-34-92(61)48-58-30-31-64-59(41-58)25-20-29-71(64)91(35-32-72(96)87-67(42-56-21-12-9-13-22-56)79(103)83-46-74(98)85-54(6)77(101)89-69(81(105)106)44-65-50(2)37-62(94)38-51(65)3)36-33-73(97)88-68(43-57-23-14-10-15-24-57)80(104)84-47-75(99)86-55(7)78(102)90-70(82(107)108)45-66-52(4)39-63(95)40-53(66)5/h9-17,21-24,26-27,30-31,37-41,54-55,61,67-71,94-95H,8,18-20,25,28-29,32-36,42-49H2,1-7H3,(H,83,103)(H,84,104)(H,85,98)(H,86,99)(H,87,96)(H,88,97)(H,89,101)(H,90,102)(H,105,106)(H,107,108)/t54-,55-,61?,67+,68+,69+,70+,71-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500606
PNG
(CHEMBL3752678)
Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C38H47N5O7/c1-3-35(46)43(29-14-8-5-9-15-29)25-30-16-10-11-21-42(30)33(23-27-12-6-4-7-13-27)37(48)39-24-34(45)40-26(2)36(47)41-32(38(49)50)22-28-17-19-31(44)20-18-28/h4-9,12-15,17-20,26,30,32-33,44H,3,10-11,16,21-25H2,1-2H3,(H,39,48)(H,40,45)(H,41,47)(H,49,50)/t26-,30?,32+,33+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50500609
PNG
(CHEMBL3754056)
Show SMILES CCC(=O)N(CC1CCCCN1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C43H56N6O8/c1-5-40(53)49(32-16-10-7-11-17-32)27-33-18-12-13-20-48(33)21-19-38(51)46-36(24-31-14-8-6-9-15-31)42(55)44-26-39(52)45-30(4)41(54)47-37(43(56)57)25-35-28(2)22-34(50)23-29(35)3/h6-11,14-17,22-23,30,33,36-37,50H,5,12-13,18-21,24-27H2,1-4H3,(H,44,55)(H,45,52)(H,46,51)(H,47,54)(H,56,57)/t30-,33?,36+,37+/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500606
PNG
(CHEMBL3752678)
Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C38H47N5O7/c1-3-35(46)43(29-14-8-5-9-15-29)25-30-16-10-11-21-42(30)33(23-27-12-6-4-7-13-27)37(48)39-24-34(45)40-26(2)36(47)41-32(38(49)50)22-28-17-19-31(44)20-18-28/h4-9,12-15,17-20,26,30,32-33,44H,3,10-11,16,21-25H2,1-2H3,(H,39,48)(H,40,45)(H,41,47)(H,49,50)/t26-,30?,32+,33+/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50500608
PNG
(CHEMBL3753711)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C54H69N7O8/c1-5-51(65)61(41-18-10-7-11-19-41)34-42-20-12-13-26-60(42)33-39-22-23-44-40(29-39)17-14-21-46(44)55-25-24-49(63)58-47(30-38-15-8-6-9-16-38)53(67)56-32-50(64)57-37(4)52(66)59-48(54(68)69)31-45-35(2)27-43(62)28-36(45)3/h6-11,15-16,18-19,22-23,27-29,37,42,46-48,55,62H,5,12-14,17,20-21,24-26,30-34H2,1-4H3,(H,56,67)(H,57,64)(H,58,63)(H,59,66)(H,68,69)/t37-,42?,46-,47+,48+/m1/s1
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n/an/a 5.70n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50500605
PNG
(CHEMBL3752798)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C82H103N11O15/c1-8-76(100)93(60-26-16-11-17-27-60)49-61-28-18-19-34-92(61)48-58-30-31-64-59(41-58)25-20-29-71(64)91(35-32-72(96)87-67(42-56-21-12-9-13-22-56)79(103)83-46-74(98)85-54(6)77(101)89-69(81(105)106)44-65-50(2)37-62(94)38-51(65)3)36-33-73(97)88-68(43-57-23-14-10-15-24-57)80(104)84-47-75(99)86-55(7)78(102)90-70(82(107)108)45-66-52(4)39-63(95)40-53(66)5/h9-17,21-24,26-27,30-31,37-41,54-55,61,67-71,94-95H,8,18-20,25,28-29,32-36,42-49H2,1-7H3,(H,83,103)(H,84,104)(H,85,98)(H,86,99)(H,87,96)(H,88,97)(H,89,101)(H,90,102)(H,105,106)(H,107,108)/t54-,55-,61?,67+,68+,69+,70+,71-/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50500606
PNG
(CHEMBL3752678)
Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C38H47N5O7/c1-3-35(46)43(29-14-8-5-9-15-29)25-30-16-10-11-21-42(30)33(23-27-12-6-4-7-13-27)37(48)39-24-34(45)40-26(2)36(47)41-32(38(49)50)22-28-17-19-31(44)20-18-28/h4-9,12-15,17-20,26,30,32-33,44H,3,10-11,16,21-25H2,1-2H3,(H,39,48)(H,40,45)(H,41,47)(H,49,50)/t26-,30?,32+,33+/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50500606
PNG
(CHEMBL3752678)
Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C38H47N5O7/c1-3-35(46)43(29-14-8-5-9-15-29)25-30-16-10-11-21-42(30)33(23-27-12-6-4-7-13-27)37(48)39-24-34(45)40-26(2)36(47)41-32(38(49)50)22-28-17-19-31(44)20-18-28/h4-9,12-15,17-20,26,30,32-33,44H,3,10-11,16,21-25H2,1-2H3,(H,39,48)(H,40,45)(H,41,47)(H,49,50)/t26-,30?,32+,33+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500607
PNG
(CHEMBL3752260)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C26H33F2N3O/c1-2-26(32)31(20-10-12-23(27)24(28)15-20)17-21-7-3-4-13-30(21)16-18-9-11-22-19(14-18)6-5-8-25(22)29/h9-12,14-15,21,25H,2-8,13,16-17,29H2,1H3/t21?,25-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50500608
PNG
(CHEMBL3753711)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C54H69N7O8/c1-5-51(65)61(41-18-10-7-11-19-41)34-42-20-12-13-26-60(42)33-39-22-23-44-40(29-39)17-14-21-46(44)55-25-24-49(63)58-47(30-38-15-8-6-9-16-38)53(67)56-32-50(64)57-37(4)52(66)59-48(54(68)69)31-45-35(2)27-43(62)28-36(45)3/h6-11,15-16,18-19,22-23,27-29,37,42,46-48,55,62H,5,12-14,17,20-21,24-26,30-34H2,1-4H3,(H,56,67)(H,57,64)(H,58,63)(H,59,66)(H,68,69)/t37-,42?,46-,47+,48+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50500611
PNG
(CHEMBL4299482)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C49H60N6O7/c1-3-46(58)55(38-16-8-5-9-17-38)32-39-18-10-11-26-54(39)31-36-22-25-41-37(27-36)15-12-19-42(41)52-43(28-34-13-6-4-7-14-34)48(60)50-30-45(57)51-33(2)47(59)53-44(49(61)62)29-35-20-23-40(56)24-21-35/h4-9,13-14,16-17,20-25,27,33,39,42-44,52,56H,3,10-12,15,18-19,26,28-32H2,1-2H3,(H,50,60)(H,51,57)(H,53,59)(H,61,62)/t33-,39?,42-,43-,44+/m1/s1
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n/an/a 95n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50500610
PNG
(CHEMBL3754245)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(22-10-4-3-5-11-22)19-23-12-6-7-16-28(23)18-20-14-15-24-21(17-20)9-8-13-25(24)27/h3-5,10-11,14-15,17,23,25H,2,6-9,12-13,16,18-19,27H2,1H3/t23?,25-/m1/s1
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n/an/a 148n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500611
PNG
(CHEMBL4299482)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C49H60N6O7/c1-3-46(58)55(38-16-8-5-9-17-38)32-39-18-10-11-26-54(39)31-36-22-25-41-37(27-36)15-12-19-42(41)52-43(28-34-13-6-4-7-14-34)48(60)50-30-45(57)51-33(2)47(59)53-44(49(61)62)29-35-20-23-40(56)24-21-35/h4-9,13-14,16-17,20-25,27,33,39,42-44,52,56H,3,10-12,15,18-19,26,28-32H2,1-2H3,(H,50,60)(H,51,57)(H,53,59)(H,61,62)/t33-,39?,42-,43-,44+/m1/s1
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PubMed
n/an/a 339n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50500611
PNG
(CHEMBL4299482)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C49H60N6O7/c1-3-46(58)55(38-16-8-5-9-17-38)32-39-18-10-11-26-54(39)31-36-22-25-41-37(27-36)15-12-19-42(41)52-43(28-34-13-6-4-7-14-34)48(60)50-30-45(57)51-33(2)47(59)53-44(49(61)62)29-35-20-23-40(56)24-21-35/h4-9,13-14,16-17,20-25,27,33,39,42-44,52,56H,3,10-12,15,18-19,26,28-32H2,1-2H3,(H,50,60)(H,51,57)(H,53,59)(H,61,62)/t33-,39?,42-,43-,44+/m1/s1
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UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50500610
PNG
(CHEMBL3754245)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(22-10-4-3-5-11-22)19-23-12-6-7-16-28(23)18-20-14-15-24-21(17-20)9-8-13-25(24)27/h3-5,10-11,14-15,17,23,25H,2,6-9,12-13,16,18-19,27H2,1H3/t23?,25-/m1/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500610
PNG
(CHEMBL3754245)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(22-10-4-3-5-11-22)19-23-12-6-7-16-28(23)18-20-14-15-24-21(17-20)9-8-13-25(24)27/h3-5,10-11,14-15,17,23,25H,2,6-9,12-13,16,18-19,27H2,1H3/t23?,25-/m1/s1
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UniChem
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50500607
PNG
(CHEMBL3752260)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C26H33F2N3O/c1-2-26(32)31(20-10-12-23(27)24(28)15-20)17-21-7-3-4-13-30(21)16-18-9-11-22-19(14-18)6-5-8-25(22)29/h9-12,14-15,21,25H,2-8,13,16-17,29H2,1H3/t21?,25-/m1/s1
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n/an/a 1.91E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis

Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%