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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'bassirirad' and Initial = 'nm'   
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))
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))
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))
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
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))
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))
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))
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
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))
BDBM50119525
PNG
(CHEMBL3613882)
Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@@H](O)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H32N2O2/c1-2-25(29)27(21-8-4-3-5-9-21)22-13-15-26(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)28/h3-5,8-9,11-12,17,22,24,28H,2,6-7,10,13-16,18H2,1H3/t24-/m0/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 rat mu opioid receptor transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
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
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


(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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5.90n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from Swiss Webster mouse neural membranes mu opioid receptor after 60 mins by liquid scintillation spectrometric analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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))
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
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))
BDBM50119519
PNG
(CHEMBL3613884)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H33N3O.C2HF3O2/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;3-2(4,5)1(6)7/h3-5,8-9,11-12,17,22,24H,2,6-7,10,13-16,18,26H2,1H3;(H,6,7)/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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
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))
BDBM50119523
PNG
(CHEMBL3613886)
Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(C)=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H35N3O2/c1-3-27(32)30(23-9-5-4-6-10-23)24-14-16-29(17-15-24)19-21-12-13-25-22(18-21)8-7-11-26(25)28-20(2)31/h4-6,9-10,12-13,18,24,26H,3,7-8,11,14-17,19H2,1-2H3,(H,28,31)/t26-/m1/s1
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50n/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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50119527
PNG
(CHEMBL3612086)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C25H31F2N3O.C2HF3O2/c1-2-25(31)30(20-7-9-22(26)23(27)15-20)19-10-12-29(13-11-19)16-17-6-8-21-18(14-17)4-3-5-24(21)28;3-2(4,5)1(6)7/h6-9,14-15,19,24H,2-5,10-13,16,28H2,1H3;(H,6,7)/t24-;/m1./s1
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110n/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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50119526
PNG
(CHEMBL3613883)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](O)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H34N2O2/c1-2-26(30)28(23-8-4-3-5-9-23)19-20-13-15-27(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)29/h3-5,8-9,11-12,17,20,25,29H,2,6-7,10,13-16,18-19H2,1H3/t25-/m0/s1
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190n/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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
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))
BDBM50119520
PNG
(CHEMBL3613885)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(C)=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H37N3O2/c1-3-28(33)31(25-9-5-4-6-10-25)20-22-14-16-30(17-15-22)19-23-12-13-26-24(18-23)8-7-11-27(26)29-21(2)32/h4-6,9-10,12-13,18,22,27H,3,7-8,11,14-17,19-20H2,1-2H3,(H,29,32)/t27-/m1/s1
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460n/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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
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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568n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Swiss Webster mouse neural membranes delta opioid receptor after 60 mins by liquid scintillation spectrometric analys...


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50119516
PNG
(CHEMBL3613881)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(CC1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O.C2HF3O2/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;3-2(4,5)1(6)7/h3-5,8-9,11-12,17,20,25H,2,6-7,10,13-16,18-19,27H2,1H3;(H,6,7)/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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50119528
PNG
(CHEMBL3613888)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C25H31Cl2N3O.C2HF3O2/c1-2-25(31)30(20-7-9-22(26)23(27)15-20)19-10-12-29(13-11-19)16-17-6-8-21-18(14-17)4-3-5-24(21)28;3-2(4,5)1(6)7/h6-9,14-15,19,24H,2-5,10-13,16,28H2,1H3;(H,6,7)/t24-;/m1./s1
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700n/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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50119517
PNG
(CHEMBL3613887)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(CCc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O.C2HF3O2/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;3-2(4,5)1(6)7/h3-5,8-9,11-12,19,23,25H,2,6-7,10,13-18,27H2,1H3;(H,6,7)/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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50119529
PNG
(CHEMBL3613889)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccc(Cl)c(OC)c1 |r|
Show InChI InChI=1S/C26H34ClN3O2.C2HF3O2/c1-3-26(31)30(21-8-10-23(27)25(16-21)32-2)20-11-13-29(14-12-20)17-18-7-9-22-19(15-18)5-4-6-24(22)28;3-2(4,5)1(6)7/h7-10,15-16,20,24H,3-6,11-14,17,28H2,1-2H3;(H,6,7)/t24-;/m1./s1
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2.60E+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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50119529
PNG
(CHEMBL3613889)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccc(Cl)c(OC)c1 |r|
Show InChI InChI=1S/C26H34ClN3O2.C2HF3O2/c1-3-26(31)30(21-8-10-23(27)25(16-21)32-2)20-11-13-29(14-12-20)17-18-7-9-22-19(15-18)5-4-6-24(22)28;3-2(4,5)1(6)7/h7-10,15-16,20,24H,3-6,11-14,17,28H2,1-2H3;(H,6,7)/t24-;/m1./s1
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4.50E+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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
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))
BDBM50119528
PNG
(CHEMBL3613888)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C25H31Cl2N3O.C2HF3O2/c1-2-25(31)30(20-7-9-22(26)23(27)15-20)19-10-12-29(13-11-19)16-17-6-8-21-18(14-17)4-3-5-24(21)28;3-2(4,5)1(6)7/h6-9,14-15,19,24H,2-5,10-13,16,28H2,1H3;(H,6,7)/t24-;/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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50119527
PNG
(CHEMBL3612086)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(C1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C25H31F2N3O.C2HF3O2/c1-2-25(31)30(20-7-9-22(26)23(27)15-20)19-10-12-29(13-11-19)16-17-6-8-21-18(14-17)4-3-5-24(21)28;3-2(4,5)1(6)7/h6-9,14-15,19,24H,2-5,10-13,16,28H2,1H3;(H,6,7)/t24-;/m1./s1
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5.70E+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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50119516
PNG
(CHEMBL3613881)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)N(CC1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O.C2HF3O2/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;3-2(4,5)1(6)7/h3-5,8-9,11-12,17,20,25H,2,6-7,10,13-16,18-19,27H2,1H3;(H,6,7)/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]-DPDPE from human delta opioid receptor transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
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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Article
PubMed
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))
BDBM50119526
PNG
(CHEMBL3613883)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@@H](O)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H34N2O2/c1-2-26(30)28(23-8-4-3-5-9-23)19-20-13-15-27(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)29/h3-5,8-9,11-12,17,20,25,29H,2,6-7,10,13-16,18-19H2,1H3/t25-/m0/s1
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Article
PubMed
7.80E+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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
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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PubMed
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50119523
PNG
(CHEMBL3613886)
Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(C)=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H35N3O2/c1-3-27(32)30(23-9-5-4-6-10-23)24-14-16-29(17-15-24)19-21-12-13-25-22(18-21)8-7-11-26(25)28-20(2)31/h4-6,9-10,12-13,18,24,26H,3,7-8,11,14-17,19H2,1-2H3,(H,28,31)/t26-/m1/s1
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PubMed
>1.00E+4n/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 transfected in HN9.10 cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 6185-94 (2015)


Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN
More data for this
Ligand-Target Pair
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