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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50046567   
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))
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


(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))
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))
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))
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
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))
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))
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
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))
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))
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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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))
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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>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
Delta-type opioid receptor


(Homo sapiens (Human))
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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>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
Delta-type opioid receptor


(Homo sapiens (Human))
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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>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
Delta-type opioid receptor


(Homo sapiens (Human))
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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>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
Delta-type opioid receptor


(Homo sapiens (Human))
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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>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
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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n/an/a 2.60n/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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n/an/a 3.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in beta-funaltrexamine-treated mouse vas deferens


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


(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 9.5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in beta-funaltrexamine-treated guinea pig isolated ileum


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


(GUINEA PIG)
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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n/an/a 55n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


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))
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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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 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))
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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n/an/a 112n/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))
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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n/an/a 195n/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))
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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n/an/a 363n/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


(GUINEA PIG)
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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n/an/a 600n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


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


(GUINEA PIG)
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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n/an/a 1.02E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


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))
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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n/an/a 1.05E+3n/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


(GUINEA PIG)
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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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


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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n/an/a 1.20E+3n/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))
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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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 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))
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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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 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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n/an/a 5.75E+3n/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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n/an/a 1.00E+4n/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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n/an/a 1.23E+4n/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))
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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n/an/a 1.95E+4n/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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n/an/a 1.95E+4n/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))
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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n/an/a 2.57E+4n/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