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PubMed code 24973818

Compile data set for download or QSAR
Found 70 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048130
PNG
(CHEMBL3309518)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(CC2CCCCC2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:5.4.6:17|
Show InChI InChI=1/C30H38N2O4/c33-22-10-8-20-14-23-30(35)15-21-9-11-24(34)32(17-18-4-2-1-3-5-18)26(21)28-29(30,25(20)27(22)36-28)12-13-31(23)16-19-6-7-19/h8,10,18-19,23,28,33,35H,1-7,9,11-17H2/t23-,28+,29+,30-/s2
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0.110n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048129
PNG
(CHEMBL3309515)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C30H32N2O4/c33-22-10-8-20-14-23-30(35)15-21-9-11-24(34)32(17-18-4-2-1-3-5-18)26(21)28-29(30,25(20)27(22)36-28)12-13-31(23)16-19-6-7-19/h1-5,8,10,19,23,28,33,35H,6-7,9,11-17H2/t23-,28+,29+,30-/s2
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0.150n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048129
PNG
(CHEMBL3309515)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C30H32N2O4/c33-22-10-8-20-14-23-30(35)15-21-9-11-24(34)32(17-18-4-2-1-3-5-18)26(21)28-29(30,25(20)27(22)36-28)12-13-31(23)16-19-6-7-19/h1-5,8,10,19,23,28,33,35H,6-7,9,11-17H2/t23-,28+,29+,30-/s2
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0.180n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048130
PNG
(CHEMBL3309518)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(CC2CCCCC2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:5.4.6:17|
Show InChI InChI=1/C30H38N2O4/c33-22-10-8-20-14-23-30(35)15-21-9-11-24(34)32(17-18-4-2-1-3-5-18)26(21)28-29(30,25(20)27(22)36-28)12-13-31(23)16-19-6-7-19/h8,10,18-19,23,28,33,35H,1-7,9,11-17H2/t23-,28+,29+,30-/s2
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0.280n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048101
PNG
(CHEMBL3309507)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C27H28N2O4/c1-28-12-11-26-22-17-7-9-19(30)24(22)33-25(26)23-18(14-27(26,32)20(28)13-17)8-10-21(31)29(23)15-16-5-3-2-4-6-16/h2-7,9,20,25,30,32H,8,10-15H2,1H3/t20-,25+,26+,27-/s2
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0.290n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048130
PNG
(CHEMBL3309518)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(CC2CCCCC2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:5.4.6:17|
Show InChI InChI=1/C30H38N2O4/c33-22-10-8-20-14-23-30(35)15-21-9-11-24(34)32(17-18-4-2-1-3-5-18)26(21)28-29(30,25(20)27(22)36-28)12-13-31(23)16-19-6-7-19/h8,10,18-19,23,28,33,35H,1-7,9,11-17H2/t23-,28+,29+,30-/s2
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0.330n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048129
PNG
(CHEMBL3309515)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C30H32N2O4/c33-22-10-8-20-14-23-30(35)15-21-9-11-24(34)32(17-18-4-2-1-3-5-18)26(21)28-29(30,25(20)27(22)36-28)12-13-31(23)16-19-6-7-19/h1-5,8,10,19,23,28,33,35H,6-7,9,11-17H2/t23-,28+,29+,30-/s2
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0.360n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048108
PNG
(CHEMBL3309512)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](C)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H34N2O4/c1-18-13-22-15-31(36)24-14-21-9-10-23(34)27-25(21)30(31,11-12-32(24)16-20-7-8-20)28(37-27)26(22)33(29(18)35)17-19-5-3-2-4-6-19/h2-6,9-10,18,20,24,28,34,36H,7-8,11-17H2,1H3/t18-,24+,28-,30-,31+/s2
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0.420n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048109
PNG
(CHEMBL3309513)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H36N2O5/c35-13-10-22-14-23-16-32(38)25-15-21-8-9-24(36)28-26(21)31(32,11-12-33(25)17-20-6-7-20)29(39-28)27(23)34(30(22)37)18-19-4-2-1-3-5-19/h1-5,8-9,20,22,25,29,35-36,38H,6-7,10-18H2/t22-,25-,29+,31+,32-/s2
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0.430n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048107
PNG
(CHEMBL3309511)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](C)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H34N2O4/c1-18-13-22-15-31(36)24-14-21-9-10-23(34)27-25(21)30(31,11-12-32(24)16-20-7-8-20)28(37-27)26(22)33(29(18)35)17-19-5-3-2-4-6-19/h2-6,9-10,18,20,24,28,34,36H,7-8,11-17H2,1H3/t18-,24-,28+,30+,31-/s2
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0.560n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048109
PNG
(CHEMBL3309513)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H36N2O5/c35-13-10-22-14-23-16-32(38)25-15-21-8-9-24(36)28-26(21)31(32,11-12-33(25)17-20-6-7-20)29(39-28)27(23)34(30(22)37)18-19-4-2-1-3-5-19/h1-5,8-9,20,22,25,29,35-36,38H,6-7,10-18H2/t22-,25-,29+,31+,32-/s2
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0.700n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048108
PNG
(CHEMBL3309512)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](C)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H34N2O4/c1-18-13-22-15-31(36)24-14-21-9-10-23(34)27-25(21)30(31,11-12-32(24)16-20-7-8-20)28(37-27)26(22)33(29(18)35)17-19-5-3-2-4-6-19/h2-6,9-10,18,20,24,28,34,36H,7-8,11-17H2,1H3/t18-,24+,28-,30-,31+/s2
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0.710n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048107
PNG
(CHEMBL3309511)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](C)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H34N2O4/c1-18-13-22-15-31(36)24-14-21-9-10-23(34)27-25(21)30(31,11-12-32(24)16-20-7-8-20)28(37-27)26(22)33(29(18)35)17-19-5-3-2-4-6-19/h2-6,9-10,18,20,24,28,34,36H,7-8,11-17H2,1H3/t18-,24-,28+,30+,31-/s2
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0.850n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048101
PNG
(CHEMBL3309507)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C27H28N2O4/c1-28-12-11-26-22-17-7-9-19(30)24(22)33-25(26)23-18(14-27(26,32)20(28)13-17)8-10-21(31)29(23)15-16-5-3-2-4-6-16/h2-7,9,20,25,30,32H,8,10-15H2,1H3/t20-,25+,26+,27-/s2
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0.920n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048107
PNG
(CHEMBL3309511)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](C)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H34N2O4/c1-18-13-22-15-31(36)24-14-21-9-10-23(34)27-25(21)30(31,11-12-32(24)16-20-7-8-20)28(37-27)26(22)33(29(18)35)17-19-5-3-2-4-6-19/h2-6,9-10,18,20,24,28,34,36H,7-8,11-17H2,1H3/t18-,24-,28+,30+,31-/s2
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0.950n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048104
PNG
(CHEMBL3309264)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C29H32N2O5/c1-30-11-10-28-23-18-7-8-21(33)25(23)36-26(28)24-20(15-29(28,35)22(30)14-18)13-19(9-12-32)27(34)31(24)16-17-5-3-2-4-6-17/h2-8,19,22,26,32-33,35H,9-16H2,1H3/t19-,22-,26+,28+,29-/s2
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1n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048100
PNG
(CHEMBL3309506)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C21H24N2O4/c1-22-8-7-20-16-11-3-5-13(24)18(16)27-19(20)17-12(4-6-15(25)23(17)2)10-21(20,26)14(22)9-11/h3,5,14,19,24,26H,4,6-10H2,1-2H3/t14-,19+,20+,21-/s2
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1.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048109
PNG
(CHEMBL3309513)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H36N2O5/c35-13-10-22-14-23-16-32(38)25-15-21-8-9-24(36)28-26(21)31(32,11-12-33(25)17-20-6-7-20)29(39-28)27(23)34(30(22)37)18-19-4-2-1-3-5-19/h1-5,8-9,20,22,25,29,35-36,38H,6-7,10-18H2/t22-,25-,29+,31+,32-/s2
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1.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048126
PNG
(CHEMBL3309514)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](CCO)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H36N2O5/c35-13-10-22-14-23-16-32(38)25-15-21-8-9-24(36)28-26(21)31(32,11-12-33(25)17-20-6-7-20)29(39-28)27(23)34(30(22)37)18-19-4-2-1-3-5-19/h1-5,8-9,20,22,25,29,35-36,38H,6-7,10-18H2/t22-,25+,29-,31-,32+/s2
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1.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048108
PNG
(CHEMBL3309512)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](C)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H34N2O4/c1-18-13-22-15-31(36)24-14-21-9-10-23(34)27-25(21)30(31,11-12-32(24)16-20-7-8-20)28(37-27)26(22)33(29(18)35)17-19-5-3-2-4-6-19/h2-6,9-10,18,20,24,28,34,36H,7-8,11-17H2,1H3/t18-,24+,28-,30-,31+/s2
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1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048104
PNG
(CHEMBL3309264)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C29H32N2O5/c1-30-11-10-28-23-18-7-8-21(33)25(23)36-26(28)24-20(15-29(28,35)22(30)14-18)13-19(9-12-32)27(34)31(24)16-17-5-3-2-4-6-17/h2-8,19,22,26,32-33,35H,9-16H2,1H3/t19-,22-,26+,28+,29-/s2
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2n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048101
PNG
(CHEMBL3309507)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C27H28N2O4/c1-28-12-11-26-22-17-7-9-19(30)24(22)33-25(26)23-18(14-27(26,32)20(28)13-17)8-10-21(31)29(23)15-16-5-3-2-4-6-16/h2-7,9,20,25,30,32H,8,10-15H2,1H3/t20-,25+,26+,27-/s2
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2n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048126
PNG
(CHEMBL3309514)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](CCO)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H36N2O5/c35-13-10-22-14-23-16-32(38)25-15-21-8-9-24(36)28-26(21)31(32,11-12-33(25)17-20-6-7-20)29(39-28)27(23)34(30(22)37)18-19-4-2-1-3-5-19/h1-5,8-9,20,22,25,29,35-36,38H,6-7,10-18H2/t22-,25+,29-,31-,32+/s2
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2.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048102
PNG
(CHEMBL3309508)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16-,20+,22+,23-/s2
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2.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048126
PNG
(CHEMBL3309514)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](CCO)C1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C32H36N2O5/c35-13-10-22-14-23-16-32(38)25-15-21-8-9-24(36)28-26(21)31(32,11-12-33(25)17-20-6-7-20)29(39-28)27(23)34(30(22)37)18-19-4-2-1-3-5-19/h1-5,8-9,20,22,25,29,35-36,38H,6-7,10-18H2/t22-,25+,29-,31-,32+/s2
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2.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048105
PNG
(CHEMBL3309510)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C29H32N2O5/c1-30-11-10-28-23-18-7-8-21(33)25(23)36-26(28)24-20(15-29(28,35)22(30)14-18)13-19(9-12-32)27(34)31(24)16-17-5-3-2-4-6-17/h2-8,19,22,26,32-33,35H,9-16H2,1H3/t19-,22+,26-,28-,29+/s2
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2.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048105
PNG
(CHEMBL3309510)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C29H32N2O5/c1-30-11-10-28-23-18-7-8-21(33)25(23)36-26(28)24-20(15-29(28,35)22(30)14-18)13-19(9-12-32)27(34)31(24)16-17-5-3-2-4-6-17/h2-8,19,22,26,32-33,35H,9-16H2,1H3/t19-,22+,26-,28-,29+/s2
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3n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048102
PNG
(CHEMBL3309508)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16-,20+,22+,23-/s2
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3.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048104
PNG
(CHEMBL3309264)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C29H32N2O5/c1-30-11-10-28-23-18-7-8-21(33)25(23)36-26(28)24-20(15-29(28,35)22(30)14-18)13-19(9-12-32)27(34)31(24)16-17-5-3-2-4-6-17/h2-8,19,22,26,32-33,35H,9-16H2,1H3/t19-,22-,26+,28+,29-/s2
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4.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048133
PNG
(CHEMBL3357967)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(CC(=O)OCC)c(O)n(Cc4ccccc4)c21)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C33H36N2O6/c1-2-40-26(37)15-22-23-16-33(39)25-14-21-10-11-24(36)29-27(21)32(33,12-13-34(25)17-20-8-9-20)30(41-29)28(23)35(31(22)38)18-19-6-4-3-5-7-19/h3-7,10-11,20,25,30,36,38-39H,2,8-9,12-18H2,1H3/t25-,30+,32+,33-/s2
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4.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048133
PNG
(CHEMBL3357967)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(CC(=O)OCC)c(O)n(Cc4ccccc4)c21)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C33H36N2O6/c1-2-40-26(37)15-22-23-16-33(39)25-14-21-10-11-24(36)29-27(21)32(33,12-13-34(25)17-20-8-9-20)30(41-29)28(23)35(31(22)38)18-19-6-4-3-5-7-19/h3-7,10-11,20,25,30,36,38-39H,2,8-9,12-18H2,1H3/t25-,30+,32+,33-/s2
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8.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048103
PNG
(CHEMBL3309509)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16+,20-,22-,23+/s2
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9.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048100
PNG
(CHEMBL3309506)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C21H24N2O4/c1-22-8-7-20-16-11-3-5-13(24)18(16)27-19(20)17-12(4-6-15(25)23(17)2)10-21(20,26)14(22)9-11/h3,5,14,19,24,26H,4,6-10H2,1-2H3/t14-,19+,20+,21-/s2
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9.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048133
PNG
(CHEMBL3357967)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(CC(=O)OCC)c(O)n(Cc4ccccc4)c21)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C33H36N2O6/c1-2-40-26(37)15-22-23-16-33(39)25-14-21-10-11-24(36)29-27(21)32(33,12-13-34(25)17-20-8-9-20)30(41-29)28(23)35(31(22)38)18-19-6-4-3-5-7-19/h3-7,10-11,20,25,30,36,38-39H,2,8-9,12-18H2,1H3/t25-,30+,32+,33-/s2
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10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048103
PNG
(CHEMBL3309509)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16+,20-,22-,23+/s2
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13n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048099
PNG
(CHEMBL3357966)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)Cc1c(CC(=O)OCC)c(O)n(Cc4ccccc4)c21)ccc3O |r,THB:10:9:14:5.6.4|
Show InChI InChI=1/C30H32N2O6/c1-3-37-23(34)14-19-20-15-30(36)22-13-18-9-10-21(33)26-24(18)29(30,11-12-31(22)2)27(38-26)25(20)32(28(19)35)16-17-7-5-4-6-8-17/h4-10,22,27,33,35-36H,3,11-16H2,1-2H3/t22-,27+,29+,30-/s2
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13n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048105
PNG
(CHEMBL3309510)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C29H32N2O5/c1-30-11-10-28-23-18-7-8-21(33)25(23)36-26(28)24-20(15-29(28,35)22(30)14-18)13-19(9-12-32)27(34)31(24)16-17-5-3-2-4-6-17/h2-8,19,22,26,32-33,35H,9-16H2,1H3/t19-,22+,26-,28-,29+/s2
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16n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048100
PNG
(CHEMBL3309506)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C21H24N2O4/c1-22-8-7-20-16-11-3-5-13(24)18(16)27-19(20)17-12(4-6-15(25)23(17)2)10-21(20,26)14(22)9-11/h3,5,14,19,24,26H,4,6-10H2,1-2H3/t14-,19+,20+,21-/s2
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20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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21n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048102
PNG
(CHEMBL3309508)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16-,20+,22+,23-/s2
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49n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048099
PNG
(CHEMBL3357966)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)Cc1c(CC(=O)OCC)c(O)n(Cc4ccccc4)c21)ccc3O |r,THB:10:9:14:5.6.4|
Show InChI InChI=1/C30H32N2O6/c1-3-37-23(34)14-19-20-15-30(36)22-13-18-9-10-21(33)26-24(18)29(30,11-12-31(22)2)27(38-26)25(20)32(28(19)35)16-17-7-5-4-6-8-17/h4-10,22,27,33,35-36H,3,11-16H2,1-2H3/t22-,27+,29+,30-/s2
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82n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048099
PNG
(CHEMBL3357966)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)Cc1c(CC(=O)OCC)c(O)n(Cc4ccccc4)c21)ccc3O |r,THB:10:9:14:5.6.4|
Show InChI InChI=1/C30H32N2O6/c1-3-37-23(34)14-19-20-15-30(36)22-13-18-9-10-21(33)26-24(18)29(30,11-12-31(22)2)27(38-26)25(20)32(28(19)35)16-17-7-5-4-6-8-17/h4-10,22,27,33,35-36H,3,11-16H2,1-2H3/t22-,27+,29+,30-/s2
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159n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048103
PNG
(CHEMBL3309509)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16+,20-,22-,23+/s2
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182n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50048130
PNG
(CHEMBL3309518)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(CC2CCCCC2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:5.4.6:17|
Show InChI InChI=1/C30H38N2O4/c33-22-10-8-20-14-23-30(35)15-21-9-11-24(34)32(17-18-4-2-1-3-5-18)26(21)28-29(30,25(20)27(22)36-28)12-13-31(23)16-19-6-7-19/h8,10,18-19,23,28,33,35H,1-7,9,11-17H2/t23-,28+,29+,30-/s2
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880n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50048129
PNG
(CHEMBL3309515)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C30H32N2O4/c33-22-10-8-20-14-23-30(35)15-21-9-11-24(34)32(17-18-4-2-1-3-5-18)26(21)28-29(30,25(20)27(22)36-28)12-13-31(23)16-19-6-7-19/h1-5,8,10,19,23,28,33,35H,6-7,9,11-17H2/t23-,28+,29+,30-/s2
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1.30E+3n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50048134
PNG
(CHEMBL3309516)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1=C2N(CCc2ccccc2)C(=O)CC1)ccc3O |r,c:24,THB:10:9:17:4.5.6|
Show InChI InChI=1/C31H34N2O4/c34-23-10-8-21-16-24-31(36)17-22-9-11-25(35)33(14-12-19-4-2-1-3-5-19)27(22)29-30(31,26(21)28(23)37-29)13-15-32(24)18-20-6-7-20/h1-5,8,10,20,24,29,34,36H,6-7,9,11-18H2/t24-,29+,30+,31-/s2
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1.50E+3n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50048106
PNG
(CHEMBL611435)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)Cc1cccnc21)ccc3O |r,THB:10:9:14:6.5.4|
Show InChI InChI=1/C20H20N2O3/c1-22-8-6-19-15-11-4-5-13(23)17(15)25-18(19)16-12(3-2-7-21-16)10-20(19,24)14(22)9-11/h2-5,7,14,18,23-24H,6,8-10H2,1H3/t14-,18+,19+,20-/s2
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n/an/a 523n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048099
PNG
(CHEMBL3357966)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)Cc1c(CC(=O)OCC)c(O)n(Cc4ccccc4)c21)ccc3O |r,THB:10:9:14:5.6.4|
Show InChI InChI=1/C30H32N2O6/c1-3-37-23(34)14-19-20-15-30(36)22-13-18-9-10-21(33)26-24(18)29(30,11-12-31(22)2)27(38-26)25(20)32(28(19)35)16-17-7-5-4-6-8-17/h4-10,22,27,33,35-36H,3,11-16H2,1-2H3/t22-,27+,29+,30-/s2
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n/an/an/an/a 71n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048099
PNG
(CHEMBL3357966)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)Cc1c(CC(=O)OCC)c(O)n(Cc4ccccc4)c21)ccc3O |r,THB:10:9:14:5.6.4|
Show InChI InChI=1/C30H32N2O6/c1-3-37-23(34)14-19-20-15-30(36)22-13-18-9-10-21(33)26-24(18)29(30,11-12-31(22)2)27(38-26)25(20)32(28(19)35)16-17-7-5-4-6-8-17/h4-10,22,27,33,35-36H,3,11-16H2,1-2H3/t22-,27+,29+,30-/s2
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n/an/an/an/a 43n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50048099
PNG
(CHEMBL3357966)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)Cc1c(CC(=O)OCC)c(O)n(Cc4ccccc4)c21)ccc3O |r,THB:10:9:14:5.6.4|
Show InChI InChI=1/C30H32N2O6/c1-3-37-23(34)14-19-20-15-30(36)22-13-18-9-10-21(33)26-24(18)29(30,11-12-31(22)2)27(38-26)25(20)32(28(19)35)16-17-7-5-4-6-8-17/h4-10,22,27,33,35-36H,3,11-16H2,1-2H3/t22-,27+,29+,30-/s2
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n/an/an/an/a 434n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048102
PNG
(CHEMBL3309508)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16-,20+,22+,23-/s2
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n/an/an/an/a 163n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048101
PNG
(CHEMBL3309507)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C27H28N2O4/c1-28-12-11-26-22-17-7-9-19(30)24(22)33-25(26)23-18(14-27(26,32)20(28)13-17)8-10-21(31)29(23)15-16-5-3-2-4-6-16/h2-7,9,20,25,30,32H,8,10-15H2,1H3/t20-,25+,26+,27-/s2
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n/an/an/an/a 5n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048105
PNG
(CHEMBL3309510)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C29H32N2O5/c1-30-11-10-28-23-18-7-8-21(33)25(23)36-26(28)24-20(15-29(28,35)22(30)14-18)13-19(9-12-32)27(34)31(24)16-17-5-3-2-4-6-17/h2-8,19,22,26,32-33,35H,9-16H2,1H3/t19-,22+,26-,28-,29+/s2
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n/an/an/an/a 11n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048100
PNG
(CHEMBL3309506)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C21H24N2O4/c1-22-8-7-20-16-11-3-5-13(24)18(16)27-19(20)17-12(4-6-15(25)23(17)2)10-21(20,26)14(22)9-11/h3,5,14,19,24,26H,4,6-10H2,1-2H3/t14-,19+,20+,21-/s2
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n/an/an/an/a 26n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048103
PNG
(CHEMBL3309509)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16+,20-,22-,23+/s2
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n/an/an/an/a 709n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048100
PNG
(CHEMBL3309506)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C21H24N2O4/c1-22-8-7-20-16-11-3-5-13(24)18(16)27-19(20)17-12(4-6-15(25)23(17)2)10-21(20,26)14(22)9-11/h3,5,14,19,24,26H,4,6-10H2,1-2H3/t14-,19+,20+,21-/s2
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n/an/an/an/a 80n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048101
PNG
(CHEMBL3309507)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C27H28N2O4/c1-28-12-11-26-22-17-7-9-19(30)24(22)33-25(26)23-18(14-27(26,32)20(28)13-17)8-10-21(31)29(23)15-16-5-3-2-4-6-16/h2-7,9,20,25,30,32H,8,10-15H2,1H3/t20-,25+,26+,27-/s2
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n/an/an/an/a 3n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048103
PNG
(CHEMBL3309509)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16+,20-,22-,23+/s2
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n/an/an/an/a 31n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048102
PNG
(CHEMBL3309508)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(C)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C23H28N2O5/c1-24-7-6-22-17-12-3-4-15(27)19(17)30-20(22)18-14(11-23(22,29)16(24)10-12)9-13(5-8-26)21(28)25(18)2/h3-4,13,16,20,26-27,29H,5-11H2,1-2H3/t13-,16-,20+,22+,23-/s2
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n/an/an/an/a 12n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/an/an/a 5.40n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048104
PNG
(CHEMBL3309264)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C29H32N2O5/c1-30-11-10-28-23-18-7-8-21(33)25(23)36-26(28)24-20(15-29(28,35)22(30)14-18)13-19(9-12-32)27(34)31(24)16-17-5-3-2-4-6-17/h2-8,19,22,26,32-33,35H,9-16H2,1H3/t19-,22-,26+,28+,29-/s2
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n/an/an/an/a 2.40n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50048105
PNG
(CHEMBL3309510)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1/C29H32N2O5/c1-30-11-10-28-23-18-7-8-21(33)25(23)36-26(28)24-20(15-29(28,35)22(30)14-18)13-19(9-12-32)27(34)31(24)16-17-5-3-2-4-6-17/h2-8,19,22,26,32-33,35H,9-16H2,1H3/t19-,22+,26-,28-,29+/s2
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n/an/an/an/a 95n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%