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PubMed code 14643346

Compile data set for download or QSAR
Found 65 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))
BDBM50136591
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-(3,5,5-trimethyl-hexyl)-...)
Show SMILES CC(CCN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)CC(C)(C)C
Show InChI InChI=1S/C23H38N2O/c1-17(15-22(3,4)5)10-12-25-13-11-23(6,18(2)16-25)20-9-7-8-19(14-20)21(24)26/h7-9,14,17-18H,10-13,15-16H2,1-6H3,(H2,24,26)/t17?,18-,23+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136599
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-(4-methylsulfanyl-benzyl...)
Show SMILES CSc1ccc(CN2CC[C@](C)([C@@H](C)C2)c2cccc(c2)C(N)=O)cc1
Show InChI InChI=1S/C22H28N2OS/c1-16-14-24(15-17-7-9-20(26-3)10-8-17)12-11-22(16,2)19-6-4-5-18(13-19)21(23)25/h4-10,13,16H,11-12,14-15H2,1-3H3,(H2,23,25)/t16-,22+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50045767
PNG
((+)-N-phenethyl trans-3(R),4(R)-dimethyl-4-(3-hydr...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H27NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h3-10,15,17,23H,11-14,16H2,1-2H3/t17-,21+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136600
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-(3-phenyl-propyl)-piperi...)
Show SMILES C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H30N2O/c1-18-17-25(14-7-10-19-8-4-3-5-9-19)15-13-23(18,2)21-12-6-11-20(16-21)22(24)26/h3-6,8-9,11-12,16,18H,7,10,13-15,17H2,1-2H3,(H2,24,26)/t18-,23+/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136603
PNG
(3-[(3R,4R)-1-(4-tert-Butyl-benzyl)-3,4-dimethyl-pi...)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)C(C)(C)C)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C25H34N2O/c1-18-16-27(17-19-9-11-21(12-10-19)24(2,3)4)14-13-25(18,5)22-8-6-7-20(15-22)23(26)28/h6-12,15,18H,13-14,16-17H2,1-5H3,(H2,26,28)/t18-,25+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136597
PNG
(3-((3R,4R)-3,4-Dimethyl-1-phenethyl-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H28N2O/c1-17-16-24(13-11-18-7-4-3-5-8-18)14-12-22(17,2)20-10-6-9-19(15-20)21(23)25/h3-10,15,17H,11-14,16H2,1-2H3,(H2,23,25)/t17-,22+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136596
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-(3-phenyl-butyl)-piperid...)
Show SMILES CC(CCN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C24H32N2O/c1-18(20-8-5-4-6-9-20)12-14-26-15-13-24(3,19(2)17-26)22-11-7-10-21(16-22)23(25)27/h4-11,16,18-19H,12-15,17H2,1-3H3,(H2,25,27)/t18?,19-,24+/m0/s1
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5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136588
PNG
(3-[(3R,4R)-1-(4-Dimethylamino-benzyl)-3,4-dimethyl...)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)N(C)C)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H31N3O/c1-17-15-26(16-18-8-10-21(11-9-18)25(3)4)13-12-23(17,2)20-7-5-6-19(14-20)22(24)27/h5-11,14,17H,12-13,15-16H2,1-4H3,(H2,24,27)/t17-,23+/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136591
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-(3,5,5-trimethyl-hexyl)-...)
Show SMILES CC(CCN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)CC(C)(C)C
Show InChI InChI=1S/C23H38N2O/c1-17(15-22(3,4)5)10-12-25-13-11-23(6,18(2)16-25)20-9-7-8-19(14-20)21(24)26/h7-9,14,17-18H,10-13,15-16H2,1-6H3,(H2,24,26)/t17?,18-,23+/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136598
PNG
(3-[(3R,4R)-1-(4-Methoxy-benzyl)-3,4-dimethyl-piper...)
Show SMILES COc1ccc(CN2CC[C@](C)([C@@H](C)C2)c2cccc(c2)C(N)=O)cc1
Show InChI InChI=1S/C22H28N2O2/c1-16-14-24(15-17-7-9-20(26-3)10-8-17)12-11-22(16,2)19-6-4-5-18(13-19)21(23)25/h4-10,13,16H,11-12,14-15H2,1-3H3,(H2,23,25)/t16-,22+/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136592
PNG
(3-((3R,4R)-1-Benzofuran-2-ylmethyl-3,4-dimethyl-pi...)
Show SMILES C[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H26N2O2/c1-16-14-25(15-20-13-17-6-3-4-9-21(17)27-20)11-10-23(16,2)19-8-5-7-18(12-19)22(24)26/h3-9,12-13,16H,10-11,14-15H2,1-2H3,(H2,24,26)/t16-,23+/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136587
PNG
(3-((3R,4R)-3,4-Dimethyl-1-quinolin-2-ylmethyl-pipe...)
Show SMILES C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C24H27N3O/c1-17-15-27(16-21-11-10-18-6-3-4-9-22(18)26-21)13-12-24(17,2)20-8-5-7-19(14-20)23(25)28/h3-11,14,17H,12-13,15-16H2,1-2H3,(H2,25,28)/t17-,24+/m0/s1
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8n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136584
PNG
(3-[(3R,4R)-1-(1-Benzenesulfonyl-1H-pyrrol-2-ylmeth...)
Show SMILES C[C@H]1CN(Cc2cccn2S(=O)(=O)c2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C25H29N3O3S/c1-19-17-27(15-13-25(19,2)21-9-6-8-20(16-21)24(26)29)18-22-10-7-14-28(22)32(30,31)23-11-4-3-5-12-23/h3-12,14,16,19H,13,15,17-18H2,1-2H3,(H2,26,29)/t19-,25+/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136583
PNG
(3-[(3R,4R)-1-(2,4-Dimethoxy-benzyl)-3,4-dimethyl-p...)
Show SMILES COc1ccc(CN2CC[C@](C)([C@@H](C)C2)c2cccc(c2)C(N)=O)c(OC)c1
Show InChI InChI=1S/C23H30N2O3/c1-16-14-25(15-18-8-9-20(27-3)13-21(18)28-4)11-10-23(16,2)19-7-5-6-17(12-19)22(24)26/h5-9,12-13,16H,10-11,14-15H2,1-4H3,(H2,24,26)/t16-,23+/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136593
PNG
(3-[(3R,4R)-1-(3-Chloro-benzyl)-3,4-dimethyl-piperi...)
Show SMILES C[C@H]1CN(Cc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H25ClN2O/c1-15-13-24(14-16-5-3-8-19(22)11-16)10-9-21(15,2)18-7-4-6-17(12-18)20(23)25/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H2,23,25)/t15-,21+/m0/s1
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9.70n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136604
PNG
(CHEMBL138036 | [3-((3R,4R)-3,4-Dimethyl-1-phenethy...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(CO)c1
Show InChI InChI=1S/C22H29NO/c1-18-16-23(13-11-19-7-4-3-5-8-19)14-12-22(18,2)21-10-6-9-20(15-21)17-24/h3-10,15,18,24H,11-14,16-17H2,1-2H3/t18-,22+/m0/s1
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11n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136606
PNG
(3-[(3R,4R)-1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-y...)
Show SMILES C[C@H]1CN(Cc2c(C)nn(c2C)-c2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C26H32N4O/c1-18-16-29(14-13-26(18,4)22-10-8-9-21(15-22)25(27)31)17-24-19(2)28-30(20(24)3)23-11-6-5-7-12-23/h5-12,15,18H,13-14,16-17H2,1-4H3,(H2,27,31)/t18-,26+/m0/s1
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13n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136591
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-(3,5,5-trimethyl-hexyl)-...)
Show SMILES CC(CCN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)CC(C)(C)C
Show InChI InChI=1S/C23H38N2O/c1-17(15-22(3,4)5)10-12-25-13-11-23(6,18(2)16-25)20-9-7-8-19(14-20)21(24)26/h7-9,14,17-18H,10-13,15-16H2,1-6H3,(H2,24,26)/t17?,18-,23+/m0/s1
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14n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human delta opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136602
PNG
(3-[(3R,4R)-1-(3-Methoxy-benzyl)-3,4-dimethyl-piper...)
Show SMILES COc1cccc(CN2CC[C@](C)([C@@H](C)C2)c2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C22H28N2O2/c1-16-14-24(15-17-6-4-9-20(12-17)26-3)11-10-22(16,2)19-8-5-7-18(13-19)21(23)25/h4-9,12-13,16H,10-11,14-15H2,1-3H3,(H2,23,25)/t16-,22+/m0/s1
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15n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136601
PNG
(3-((3R,4R)-1-Benzyl-3,4-dimethyl-piperidin-4-yl)-b...)
Show SMILES C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H26N2O/c1-16-14-23(15-17-7-4-3-5-8-17)12-11-21(16,2)19-10-6-9-18(13-19)20(22)24/h3-10,13,16H,11-12,14-15H2,1-2H3,(H2,22,24)/t16-,21+/m0/s1
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16n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50045767
PNG
((+)-N-phenethyl trans-3(R),4(R)-dimethyl-4-(3-hydr...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H27NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h3-10,15,17,23H,11-14,16H2,1-2H3/t17-,21+/m0/s1
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17n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136589
PNG
(3-[(3R,4R)-1-(3-Hydroxy-benzyl)-3,4-dimethyl-piper...)
Show SMILES C[C@H]1CN(Cc2cccc(O)c2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H26N2O2/c1-15-13-23(14-16-5-3-8-19(24)11-16)10-9-21(15,2)18-7-4-6-17(12-18)20(22)25/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3,(H2,22,25)/t15-,21+/m0/s1
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29n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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33n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human delta opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50045767
PNG
((+)-N-phenethyl trans-3(R),4(R)-dimethyl-4-(3-hydr...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H27NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h3-10,15,17,23H,11-14,16H2,1-2H3/t17-,21+/m0/s1
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33n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human delta opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136607
PNG
(3-((3R,4R)-1-Cyclopropylmethyl-3,4-dimethyl-piperi...)
Show SMILES C[C@H]1CN(CC2CC2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C18H26N2O/c1-13-11-20(12-14-6-7-14)9-8-18(13,2)16-5-3-4-15(10-16)17(19)21/h3-5,10,13-14H,6-9,11-12H2,1-2H3,(H2,19,21)/t13-,18+/m0/s1
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53n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136593
PNG
(3-[(3R,4R)-1-(3-Chloro-benzyl)-3,4-dimethyl-piperi...)
Show SMILES C[C@H]1CN(Cc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H25ClN2O/c1-15-13-24(14-16-5-3-8-19(22)11-16)10-9-21(15,2)18-7-4-6-17(12-18)20(23)25/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H2,23,25)/t15-,21+/m0/s1
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57n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to the cloned human delta opioid receptors using 10 uM concentration of the compound


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136586
PNG
(CHEMBL138750 | N-[3-((3R,4R)-3,4-Dimethyl-1-phenet...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C23H30N2O/c1-18-17-25(14-12-20-8-5-4-6-9-20)15-13-23(18,3)21-10-7-11-22(16-21)24-19(2)26/h4-11,16,18H,12-15,17H2,1-3H3,(H,24,26)/t18-,23+/m0/s1
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68n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136590
PNG
(3-((3R,4R)-1-Cyclohexylmethyl-3,4-dimethyl-piperid...)
Show SMILES C[C@H]1CN(CC2CCCCC2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H32N2O/c1-16-14-23(15-17-7-4-3-5-8-17)12-11-21(16,2)19-10-6-9-18(13-19)20(22)24/h6,9-10,13,16-17H,3-5,7-8,11-12,14-15H2,1-2H3,(H2,22,24)/t16-,21+/m0/s1
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69n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136594
PNG
(3-((3R,4R)-3,4-Dimethyl-1-phenethyl-piperidin-4-yl...)
Show SMILES CNC(=O)c1cccc(c1)[C@]1(C)CCN(CCc2ccccc2)C[C@@H]1C
Show InChI InChI=1S/C23H30N2O/c1-18-17-25(14-12-19-8-5-4-6-9-19)15-13-23(18,2)21-11-7-10-20(16-21)22(26)24-3/h4-11,16,18H,12-15,17H2,1-3H3,(H,24,26)/t18-,23+/m0/s1
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71n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136597
PNG
(3-((3R,4R)-3,4-Dimethyl-1-phenethyl-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H28N2O/c1-17-16-24(13-11-18-7-4-3-5-8-18)14-12-22(17,2)20-10-6-9-19(15-20)21(23)25/h3-10,15,17H,11-14,16H2,1-2H3,(H2,23,25)/t17-,22+/m0/s1
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72n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human delta opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136600
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-(3-phenyl-propyl)-piperi...)
Show SMILES C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H30N2O/c1-18-17-25(14-7-10-19-8-4-3-5-9-19)15-13-23(18,2)21-12-6-11-20(16-21)22(24)26/h3-6,8-9,11-12,16,18H,7,10,13-15,17H2,1-2H3,(H2,24,26)/t18-,23+/m0/s1
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73n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human delta opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136597
PNG
(3-((3R,4R)-3,4-Dimethyl-1-phenethyl-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H28N2O/c1-17-16-24(13-11-18-7-4-3-5-8-18)14-12-22(17,2)20-10-6-9-19(15-20)21(23)25/h3-10,15,17H,11-14,16H2,1-2H3,(H2,23,25)/t17-,22+/m0/s1
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95n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136596
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-(3-phenyl-butyl)-piperid...)
Show SMILES CC(CCN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C24H32N2O/c1-18(20-8-5-4-6-9-20)12-14-26-15-13-24(3,19(2)17-26)22-11-7-10-21(16-22)23(25)27/h4-11,16,18-19H,12-15,17H2,1-3H3,(H2,25,27)/t18?,19-,24+/m0/s1
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100n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136599
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-(4-methylsulfanyl-benzyl...)
Show SMILES CSc1ccc(CN2CC[C@](C)([C@@H](C)C2)c2cccc(c2)C(N)=O)cc1
Show InChI InChI=1S/C22H28N2OS/c1-16-14-24(15-17-7-9-20(26-3)10-8-17)12-11-22(16,2)19-6-4-5-18(13-19)21(23)25/h4-10,13,16H,11-12,14-15H2,1-3H3,(H2,23,25)/t16-,22+/m0/s1
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110n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human delta opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136603
PNG
(3-[(3R,4R)-1-(4-tert-Butyl-benzyl)-3,4-dimethyl-pi...)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)C(C)(C)C)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C25H34N2O/c1-18-16-27(17-19-9-11-21(12-10-19)24(2,3)4)14-13-25(18,5)22-8-6-7-20(15-22)23(26)28/h6-12,15,18H,13-14,16-17H2,1-5H3,(H2,26,28)/t18-,25+/m0/s1
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120n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136599
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-(4-methylsulfanyl-benzyl...)
Show SMILES CSc1ccc(CN2CC[C@](C)([C@@H](C)C2)c2cccc(c2)C(N)=O)cc1
Show InChI InChI=1S/C22H28N2OS/c1-16-14-24(15-17-7-9-20(26-3)10-8-17)12-11-22(16,2)19-6-4-5-18(13-19)21(23)25/h4-10,13,16H,11-12,14-15H2,1-3H3,(H2,23,25)/t16-,22+/m0/s1
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120n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136589
PNG
(3-[(3R,4R)-1-(3-Hydroxy-benzyl)-3,4-dimethyl-piper...)
Show SMILES C[C@H]1CN(Cc2cccc(O)c2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H26N2O2/c1-15-13-23(14-16-5-3-8-19(24)11-16)10-9-21(15,2)18-7-4-6-17(12-18)20(22)25/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3,(H2,22,25)/t15-,21+/m0/s1
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140n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136600
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-(3-phenyl-propyl)-piperi...)
Show SMILES C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H30N2O/c1-18-17-25(14-7-10-19-8-4-3-5-9-19)15-13-23(18,2)21-12-6-11-20(16-21)22(24)26/h3-6,8-9,11-12,16,18H,7,10,13-15,17H2,1-2H3,(H2,24,26)/t18-,23+/m0/s1
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140n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136607
PNG
(3-((3R,4R)-1-Cyclopropylmethyl-3,4-dimethyl-piperi...)
Show SMILES C[C@H]1CN(CC2CC2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C18H26N2O/c1-13-11-20(12-14-6-7-14)9-8-18(13,2)16-5-3-4-15(10-16)17(19)21/h3-5,10,13-14H,6-9,11-12H2,1-2H3,(H2,19,21)/t13-,18+/m0/s1
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140n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136595
PNG
(3-((3R,4R)-3,4-Dimethyl-1-phenethyl-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(N)c1
Show InChI InChI=1S/C21H28N2/c1-17-16-23(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(22)15-19/h3-10,15,17H,11-14,16,22H2,1-2H3/t17-,21+/m0/s1
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150n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136593
PNG
(3-[(3R,4R)-1-(3-Chloro-benzyl)-3,4-dimethyl-piperi...)
Show SMILES C[C@H]1CN(Cc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H25ClN2O/c1-15-13-24(14-16-5-3-8-19(22)11-16)10-9-21(15,2)18-7-4-6-17(12-18)20(23)25/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H2,23,25)/t15-,21+/m0/s1
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190n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136601
PNG
(3-((3R,4R)-1-Benzyl-3,4-dimethyl-piperidin-4-yl)-b...)
Show SMILES C[C@H]1CN(Cc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H26N2O/c1-16-14-23(15-17-7-4-3-5-8-17)12-11-21(16,2)19-10-6-9-18(13-19)20(22)24/h3-10,13,16H,11-12,14-15H2,1-2H3,(H2,22,24)/t16-,21+/m0/s1
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210n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136584
PNG
(3-[(3R,4R)-1-(1-Benzenesulfonyl-1H-pyrrol-2-ylmeth...)
Show SMILES C[C@H]1CN(Cc2cccn2S(=O)(=O)c2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C25H29N3O3S/c1-19-17-27(15-13-25(19,2)21-9-6-8-20(16-21)24(26)29)18-22-10-7-14-28(22)32(30,31)23-11-4-3-5-12-23/h3-12,14,16,19H,13,15,17-18H2,1-2H3,(H2,26,29)/t19-,25+/m0/s1
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210n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136587
PNG
(3-((3R,4R)-3,4-Dimethyl-1-quinolin-2-ylmethyl-pipe...)
Show SMILES C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C24H27N3O/c1-17-15-27(16-21-11-10-18-6-3-4-9-22(18)26-21)13-12-24(17,2)20-8-5-7-19(14-20)23(25)28/h3-11,14,17H,12-13,15-16H2,1-2H3,(H2,25,28)/t17-,24+/m0/s1
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220n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human delta opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136598
PNG
(3-[(3R,4R)-1-(4-Methoxy-benzyl)-3,4-dimethyl-piper...)
Show SMILES COc1ccc(CN2CC[C@](C)([C@@H](C)C2)c2cccc(c2)C(N)=O)cc1
Show InChI InChI=1S/C22H28N2O2/c1-16-14-24(15-17-7-9-20(26-3)10-8-17)12-11-22(16,2)19-6-4-5-18(13-19)21(23)25/h4-10,13,16H,11-12,14-15H2,1-3H3,(H2,23,25)/t16-,22+/m0/s1
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220n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136604
PNG
(CHEMBL138036 | [3-((3R,4R)-3,4-Dimethyl-1-phenethy...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(CO)c1
Show InChI InChI=1S/C22H29NO/c1-18-16-23(13-11-19-7-4-3-5-8-19)14-12-22(18,2)21-10-6-9-20(15-21)17-24/h3-10,15,18,24H,11-14,16-17H2,1-2H3/t18-,22+/m0/s1
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270n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human delta opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136592
PNG
(3-((3R,4R)-1-Benzofuran-2-ylmethyl-3,4-dimethyl-pi...)
Show SMILES C[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H26N2O2/c1-16-14-25(15-20-13-17-6-3-4-9-21(17)27-20)11-10-23(16,2)19-8-5-7-18(12-19)22(24)26/h3-9,12-13,16H,10-11,14-15H2,1-2H3,(H2,24,26)/t16-,23+/m0/s1
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300n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136596
PNG
(3-[(3R,4R)-3,4-Dimethyl-1-(3-phenyl-butyl)-piperid...)
Show SMILES CC(CCN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C24H32N2O/c1-18(20-8-5-4-6-9-20)12-14-26-15-13-24(3,19(2)17-26)22-11-7-10-21(16-22)23(25)27/h4-11,16,18-19H,12-15,17H2,1-3H3,(H2,25,27)/t18?,19-,24+/m0/s1
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310n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human delta opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136588
PNG
(3-[(3R,4R)-1-(4-Dimethylamino-benzyl)-3,4-dimethyl...)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)N(C)C)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C23H31N3O/c1-17-15-26(16-18-8-10-21(11-9-18)25(3)4)13-12-23(17,2)20-7-5-6-19(14-20)22(24)27/h5-11,14,17H,12-13,15-16H2,1-4H3,(H2,24,27)/t17-,23+/m0/s1
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460n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136587
PNG
(3-((3R,4R)-3,4-Dimethyl-1-quinolin-2-ylmethyl-pipe...)
Show SMILES C[C@H]1CN(Cc2ccc3ccccc3n2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C24H27N3O/c1-17-15-27(16-21-11-10-18-6-3-4-9-22(18)26-21)13-12-24(17,2)20-8-5-7-19(14-20)23(25)28/h3-11,14,17H,12-13,15-16H2,1-2H3,(H2,25,28)/t17-,24+/m0/s1
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600n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136604
PNG
(CHEMBL138036 | [3-((3R,4R)-3,4-Dimethyl-1-phenethy...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(CO)c1
Show InChI InChI=1S/C22H29NO/c1-18-16-23(13-11-19-7-4-3-5-8-19)14-12-22(18,2)21-10-6-9-20(15-21)17-24/h3-10,15,18,24H,11-14,16-17H2,1-2H3/t18-,22+/m0/s1
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840n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136585
PNG
(3-((3R,4R)-3,4-Dimethyl-1-phenethyl-piperidin-4-yl...)
Show SMILES COC(=O)c1cccc(c1)[C@]1(C)CCN(CCc2ccccc2)C[C@@H]1C
Show InChI InChI=1S/C23H29NO2/c1-18-17-24(14-12-19-8-5-4-6-9-19)15-13-23(18,2)21-11-7-10-20(16-21)22(25)26-3/h4-11,16,18H,12-15,17H2,1-3H3/t18-,23+/m0/s1
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850n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136586
PNG
(CHEMBL138750 | N-[3-((3R,4R)-3,4-Dimethyl-1-phenet...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C23H30N2O/c1-18-17-25(14-12-20-8-5-4-6-9-20)15-13-23(18,3)21-10-7-11-22(16-21)24-19(2)26/h4-11,16,18H,12-15,17H2,1-3H3,(H,24,26)/t18-,23+/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136605
PNG
(3-((3R,4R)-3,4-Dimethyl-1-phenethyl-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(=O)N(C)C
Show InChI InChI=1S/C24H32N2O/c1-19-18-26(15-13-20-9-6-5-7-10-20)16-14-24(19,2)22-12-8-11-21(17-22)23(27)25(3)4/h5-12,17,19H,13-16,18H2,1-4H3/t19-,24+/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50136594
PNG
(3-((3R,4R)-3,4-Dimethyl-1-phenethyl-piperidin-4-yl...)
Show SMILES CNC(=O)c1cccc(c1)[C@]1(C)CCN(CCc2ccccc2)C[C@@H]1C
Show InChI InChI=1S/C23H30N2O/c1-18-17-25(14-12-19-8-5-4-6-9-19)15-13-23(18,2)21-11-7-10-20(16-21)22(26)24-3/h4-11,16,18H,12-15,17H2,1-3H3,(H,24,26)/t18-,23+/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human delta opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136594
PNG
(3-((3R,4R)-3,4-Dimethyl-1-phenethyl-piperidin-4-yl...)
Show SMILES CNC(=O)c1cccc(c1)[C@]1(C)CCN(CCc2ccccc2)C[C@@H]1C
Show InChI InChI=1S/C23H30N2O/c1-18-17-25(14-12-19-8-5-4-6-9-19)15-13-23(18,2)21-11-7-10-20(16-21)22(26)24-3/h4-11,16,18H,12-15,17H2,1-3H3,(H,24,26)/t18-,23+/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Binding affinity at cloned human kappa opioid receptor by [3H]diprenorphine displacement.


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50136595
PNG
(3-((3R,4R)-3,4-Dimethyl-1-phenethyl-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(N)c1
Show InChI InChI=1S/C21H28N2/c1-17-16-23(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(22)15-19/h3-10,15,17H,11-14,16,22H2,1-2H3/t17-,21+/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit the binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human kappa opioid receptor ;


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136597
PNG
(3-((3R,4R)-3,4-Dimethyl-1-phenethyl-piperidin-4-yl...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C22H28N2O/c1-17-16-24(13-11-18-7-4-3-5-8-18)14-12-22(17,2)20-10-6-9-19(15-20)21(23)25/h3-10,15,17H,11-14,16H2,1-2H3,(H2,23,25)/t17-,22+/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50045767
PNG
((+)-N-phenethyl trans-3(R),4(R)-dimethyl-4-(3-hydr...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H27NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h3-10,15,17,23H,11-14,16H2,1-2H3/t17-,21+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit agonist (loperamide) stimulated [35S]GTP-gamma-S, binding to membranes containingthe cloned human mu opioid recepto...


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136604
PNG
(CHEMBL138036 | [3-((3R,4R)-3,4-Dimethyl-1-phenethy...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(CO)c1
Show InChI InChI=1S/C22H29NO/c1-18-16-23(13-11-19-7-4-3-5-8-19)14-12-22(18,2)21-10-6-9-20(15-21)17-24/h3-10,15,18,24H,11-14,16-17H2,1-2H3/t18-,22+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit agonist (loperamide) stimulated [35S]GTP-gamma-S, binding to membranes containingthe cloned human mu opioid recepto...


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit agonist (loperamide) stimulated [35S]GTP-gamma-S, binding to membranes containingthe cloned human mu opioid recepto...


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136586
PNG
(CHEMBL138750 | N-[3-((3R,4R)-3,4-Dimethyl-1-phenet...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C23H30N2O/c1-18-17-25(14-12-20-8-5-4-6-9-20)15-13-23(18,3)21-10-7-11-22(16-21)24-19(2)26/h4-11,16,18H,12-15,17H2,1-3H3,(H,24,26)/t18-,23+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit agonist (loperamide) stimulated [35S]GTP-gamma-S, binding to membranes containingthe cloned human mu opioid recepto...


Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136594
PNG
(3-((3R,4R)-3,4-Dimethyl-1-phenethyl-piperidin-4-yl...)
Show SMILES CNC(=O)c1cccc(c1)[C@]1(C)CCN(CCc2ccccc2)C[C@@H]1C
Show InChI InChI=1S/C23H30N2O/c1-18-17-25(14-12-19-8-5-4-6-9-19)15-13-23(18,2)21-11-7-10-20(16-21)22(26)24-3/h4-11,16,18H,12-15,17H2,1-3H3,(H,24,26)/t18-,23+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 13: 4459-62 (2003)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%