BindingDB logo
myBDB logout

PubMed code 19253970

Compile data set for download or QSAR
Found 39 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248793
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,8-11,19,21,23,27,32,34H,6-7,12-17H2,(H,30,33)/b11-8+/t21-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0430n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248825
PNG
((2E)-3-(2-chlorophenyl)-N-[(1S,5R,13R,14R,17S)-4-(...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1Cl |r|
Show InChI InChI=1S/C29H31ClN2O4/c30-20-4-2-1-3-18(20)8-10-24(34)31-21-11-12-29(35)23-15-19-7-9-22(33)26-25(19)28(29,27(21)36-26)13-14-32(23)16-17-5-6-17/h1-4,7-10,17,21,23,27,33,35H,5-6,11-16H2,(H,31,34)/b10-8+/t21-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0790n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248826
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES COc1ccccc1\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C30H34N2O5/c1-36-23-5-3-2-4-19(23)9-11-25(34)31-21-12-13-30(35)24-16-20-8-10-22(33)27-26(20)29(30,28(21)37-27)14-15-32(24)17-18-6-7-18/h2-5,8-11,18,21,24,28,33,35H,6-7,12-17H2,1H3,(H,31,34)/b11-9+/t21-,24-,28+,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0850n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248795
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C29H31N3O6/c33-22-8-7-19-15-23-29(35)11-10-21(30-24(34)9-6-17-2-1-3-20(14-17)32(36)37)27-28(29,25(19)26(22)38-27)12-13-31(23)16-18-4-5-18/h1-3,6-9,14,18,21,23,27,33,35H,4-5,10-13,15-16H2,(H,30,34)/b9-6+/t21-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.110n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248828
PNG
(14beta-Allyloxy-17-cyclopropylmethyl-4,5alpha-epox...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCC=C)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C32H36N2O4/c1-2-18-37-32-15-14-24(33-27(36)13-10-21-6-4-3-5-7-21)30-31(32)16-17-34(20-22-8-9-22)26(32)19-23-11-12-25(35)29(38-30)28(23)31/h2-7,10-13,22,24,26,30,35H,1,8-9,14-20H2,(H,33,36)/b13-10+/t24-,26-,30+,31+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.120n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248827
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-17-(benzyloxy)-4-(cycl...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCc1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C36H38N2O4/c39-29-15-14-27-21-30-36(41-23-26-9-5-2-6-10-26)18-17-28(37-31(40)16-13-24-7-3-1-4-8-24)34-35(36,32(27)33(29)42-34)19-20-38(30)22-25-11-12-25/h1-10,13-16,25,28,30,34,39H,11-12,17-23H2,(H,37,40)/b16-13+/t28-,30-,34+,35+,36-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248793
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,8-11,19,21,23,27,32,34H,6-7,12-17H2,(H,30,33)/b11-8+/t21-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.170n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248855
PNG
(14beta-Acetoyloxy-17-cyclopropylmethyl-4,5alpha-ep...)
Show SMILES CC(=O)O[C@]12CC[C@@H](NC(=O)\C=C\c3ccccc3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C31H34N2O5/c1-19(34)38-31-14-13-23(32-26(36)12-9-20-5-3-2-4-6-20)29-30(31)15-16-33(18-21-7-8-21)25(31)17-22-10-11-24(35)28(37-29)27(22)30/h2-6,9-12,21,23,25,29,35H,7-8,13-18H2,1H3,(H,32,36)/b12-9+/t23-,25-,29+,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.210n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248828
PNG
(14beta-Allyloxy-17-cyclopropylmethyl-4,5alpha-epox...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCC=C)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C32H36N2O4/c1-2-18-37-32-15-14-24(33-27(36)13-10-21-6-4-3-5-7-21)30-31(32)16-17-34(20-22-8-9-22)26(32)19-23-11-12-25(35)29(38-30)28(23)31/h2-7,10-13,22,24,26,30,35H,1,8-9,14-20H2,(H,33,36)/b13-10+/t24-,26-,30+,31+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.25n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248857
PNG
((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydro...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)Cc1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C37H38N2O5/c40-29-15-14-27-22-30-37(44-32(42)21-25-9-5-2-6-10-25)18-17-28(38-31(41)16-13-24-7-3-1-4-8-24)35-36(37,33(27)34(29)43-35)19-20-39(30)23-26-11-12-26/h1-10,13-16,26,28,30,35,40H,11-12,17-23H2,(H,38,41)/b16-13+/t28-,30-,35+,36+,37-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.260n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248825
PNG
((2E)-3-(2-chlorophenyl)-N-[(1S,5R,13R,14R,17S)-4-(...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1Cl |r|
Show InChI InChI=1S/C29H31ClN2O4/c30-20-4-2-1-3-18(20)8-10-24(34)31-21-11-12-29(35)23-15-19-7-9-22(33)26-25(19)28(29,27(21)36-26)13-14-32(23)16-17-5-6-17/h1-4,7-10,17,21,23,27,33,35H,5-6,11-16H2,(H,31,34)/b10-8+/t21-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.270n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248857
PNG
((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydro...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)Cc1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C37H38N2O5/c40-29-15-14-27-22-30-37(44-32(42)21-25-9-5-2-6-10-25)18-17-28(38-31(41)16-13-24-7-3-1-4-8-24)35-36(37,33(27)34(29)43-35)19-20-39(30)23-26-11-12-26/h1-10,13-16,26,28,30,35,40H,11-12,17-23H2,(H,38,41)/b16-13+/t28-,30-,35+,36+,37-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.280n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248794
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1[N+]([O-])=O |r|
Show InChI InChI=1S/C29H31N3O6/c33-22-9-7-19-15-23-29(35)12-11-20(30-24(34)10-8-18-3-1-2-4-21(18)32(36)37)27-28(29,25(19)26(22)38-27)13-14-31(23)16-17-5-6-17/h1-4,7-10,17,20,23,27,33,35H,5-6,11-16H2,(H,30,34)/b10-8+/t20-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248826
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES COc1ccccc1\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C30H34N2O5/c1-36-23-5-3-2-4-19(23)9-11-25(34)31-21-12-13-30(35)24-16-20-8-10-22(33)27-26(20)29(30,28(21)37-27)14-15-32(24)17-18-6-7-18/h2-5,8-11,18,21,24,28,33,35H,6-7,12-17H2,1H3,(H,31,34)/b11-9+/t21-,24-,28+,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.340n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248794
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1[N+]([O-])=O |r|
Show InChI InChI=1S/C29H31N3O6/c33-22-9-7-19-15-23-29(35)12-11-20(30-24(34)10-8-18-3-1-2-4-21(18)32(36)37)27-28(29,25(19)26(22)38-27)13-14-31(23)16-17-5-6-17/h1-4,7-10,17,20,23,27,33,35H,5-6,11-16H2,(H,30,34)/b10-8+/t20-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.350n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248795
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C29H31N3O6/c33-22-8-7-19-15-23-29(35)11-10-21(30-24(34)9-6-17-2-1-3-20(14-17)32(36)37)27-28(29,25(19)26(22)38-27)12-13-31(23)16-18-4-5-18/h1-3,6-9,14,18,21,23,27,33,35H,4-5,10-13,15-16H2,(H,30,34)/b9-6+/t21-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.360n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248856
PNG
((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydro...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)c1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C36H36N2O5/c39-28-15-14-26-21-29-36(43-34(41)25-9-5-2-6-10-25)18-17-27(37-30(40)16-13-23-7-3-1-4-8-23)33-35(36,31(26)32(28)42-33)19-20-38(29)22-24-11-12-24/h1-10,13-16,24,27,29,33,39H,11-12,17-22H2,(H,37,40)/b16-13+/t27-,29-,33+,35+,36-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.420n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248855
PNG
(14beta-Acetoyloxy-17-cyclopropylmethyl-4,5alpha-ep...)
Show SMILES CC(=O)O[C@]12CC[C@@H](NC(=O)\C=C\c3ccccc3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C31H34N2O5/c1-19(34)38-31-14-13-23(32-26(36)12-9-20-5-3-2-4-6-20)29-30(31)15-16-33(18-21-7-8-21)25(31)17-22-10-11-24(35)28(37-29)27(22)30/h2-6,9-12,21,23,25,29,35H,7-8,13-18H2,1H3,(H,32,36)/b12-9+/t23-,25-,29+,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.590n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248827
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-17-(benzyloxy)-4-(cycl...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCc1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C36H38N2O4/c39-29-15-14-27-21-30-36(41-23-26-9-5-2-6-10-26)18-17-28(37-31(40)16-13-24-7-3-1-4-8-24)34-35(36,32(27)33(29)42-34)19-20-38(30)22-25-11-12-25/h1-10,13-16,25,28,30,34,39H,11-12,17-23H2,(H,37,40)/b16-13+/t28-,30-,34+,35+,36-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.860n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248856
PNG
((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydro...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)c1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C36H36N2O5/c39-28-15-14-26-21-29-36(43-34(41)25-9-5-2-6-10-25)18-17-27(37-30(40)16-13-23-7-3-1-4-8-23)33-35(36,31(26)32(28)42-33)19-20-38(29)22-24-11-12-24/h1-10,13-16,24,27,29,33,39H,11-12,17-22H2,(H,37,40)/b16-13+/t27-,29-,33+,35+,36-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248795
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C29H31N3O6/c33-22-8-7-19-15-23-29(35)11-10-21(30-24(34)9-6-17-2-1-3-20(14-17)32(36)37)27-28(29,25(19)26(22)38-27)12-13-31(23)16-18-4-5-18/h1-3,6-9,14,18,21,23,27,33,35H,4-5,10-13,15-16H2,(H,30,34)/b9-6+/t21-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.180n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248857
PNG
((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydro...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)Cc1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C37H38N2O5/c40-29-15-14-27-22-30-37(44-32(42)21-25-9-5-2-6-10-25)18-17-28(38-31(41)16-13-24-7-3-1-4-8-24)35-36(37,33(27)34(29)43-35)19-20-39(30)23-26-11-12-26/h1-10,13-16,26,28,30,35,40H,11-12,17-23H2,(H,38,41)/b16-13+/t28-,30-,35+,36+,37-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.490n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248825
PNG
((2E)-3-(2-chlorophenyl)-N-[(1S,5R,13R,14R,17S)-4-(...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1Cl |r|
Show InChI InChI=1S/C29H31ClN2O4/c30-20-4-2-1-3-18(20)8-10-24(34)31-21-11-12-29(35)23-15-19-7-9-22(33)26-25(19)28(29,27(21)36-26)13-14-32(23)16-17-5-6-17/h1-4,7-10,17,21,23,27,33,35H,5-6,11-16H2,(H,31,34)/b10-8+/t21-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 12n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248795
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C29H31N3O6/c33-22-8-7-19-15-23-29(35)11-10-21(30-24(34)9-6-17-2-1-3-20(14-17)32(36)37)27-28(29,25(19)26(22)38-27)12-13-31(23)16-18-4-5-18/h1-3,6-9,14,18,21,23,27,33,35H,4-5,10-13,15-16H2,(H,30,34)/b9-6+/t21-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.120n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248855
PNG
(14beta-Acetoyloxy-17-cyclopropylmethyl-4,5alpha-ep...)
Show SMILES CC(=O)O[C@]12CC[C@@H](NC(=O)\C=C\c3ccccc3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C31H34N2O5/c1-19(34)38-31-14-13-23(32-26(36)12-9-20-5-3-2-4-6-20)29-30(31)15-16-33(18-21-7-8-21)25(31)17-22-10-11-24(35)28(37-29)27(22)30/h2-6,9-12,21,23,25,29,35H,7-8,13-18H2,1H3,(H,32,36)/b12-9+/t23-,25-,29+,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.40n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248794
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1[N+]([O-])=O |r|
Show InChI InChI=1S/C29H31N3O6/c33-22-9-7-19-15-23-29(35)12-11-20(30-24(34)10-8-18-3-1-2-4-21(18)32(36)37)27-28(29,25(19)26(22)38-27)13-14-31(23)16-17-5-6-17/h1-4,7-10,17,20,23,27,33,35H,5-6,11-16H2,(H,30,34)/b10-8+/t20-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.690n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248794
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1[N+]([O-])=O |r|
Show InChI InChI=1S/C29H31N3O6/c33-22-9-7-19-15-23-29(35)12-11-20(30-24(34)10-8-18-3-1-2-4-21(18)32(36)37)27-28(29,25(19)26(22)38-27)13-14-31(23)16-17-5-6-17/h1-4,7-10,17,20,23,27,33,35H,5-6,11-16H2,(H,30,34)/b10-8+/t20-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.90n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248827
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-17-(benzyloxy)-4-(cycl...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCc1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C36H38N2O4/c39-29-15-14-27-21-30-36(41-23-26-9-5-2-6-10-26)18-17-28(37-31(40)16-13-24-7-3-1-4-8-24)34-35(36,32(27)33(29)42-34)19-20-38(30)22-25-11-12-25/h1-10,13-16,25,28,30,34,39H,11-12,17-23H2,(H,37,40)/b16-13+/t28-,30-,34+,35+,36-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.780n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248828
PNG
(14beta-Allyloxy-17-cyclopropylmethyl-4,5alpha-epox...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCC=C)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C32H36N2O4/c1-2-18-37-32-15-14-24(33-27(36)13-10-21-6-4-3-5-7-21)30-31(32)16-17-34(20-22-8-9-22)26(32)19-23-11-12-25(35)29(38-30)28(23)31/h2-7,10-13,22,24,26,30,35H,1,8-9,14-20H2,(H,33,36)/b13-10+/t24-,26-,30+,31+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0790n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248856
PNG
((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydro...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)c1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C36H36N2O5/c39-28-15-14-26-21-29-36(43-34(41)25-9-5-2-6-10-25)18-17-27(37-30(40)16-13-23-7-3-1-4-8-23)33-35(36,31(26)32(28)42-33)19-20-38(29)22-24-11-12-24/h1-10,13-16,24,27,29,33,39H,11-12,17-22H2,(H,37,40)/b16-13+/t27-,29-,33+,35+,36-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.80n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248826
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES COc1ccccc1\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C30H34N2O5/c1-36-23-5-3-2-4-19(23)9-11-25(34)31-21-12-13-30(35)24-16-20-8-10-22(33)27-26(20)29(30,28(21)37-27)14-15-32(24)17-18-6-7-18/h2-5,8-11,18,21,24,28,33,35H,6-7,12-17H2,1H3,(H,31,34)/b11-9+/t21-,24-,28+,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.10n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248827
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-17-(benzyloxy)-4-(cycl...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCc1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C36H38N2O4/c39-29-15-14-27-21-30-36(41-23-26-9-5-2-6-10-26)18-17-28(37-31(40)16-13-24-7-3-1-4-8-24)34-35(36,32(27)33(29)42-34)19-20-38(30)22-25-11-12-25/h1-10,13-16,25,28,30,34,39H,11-12,17-23H2,(H,37,40)/b16-13+/t28-,30-,34+,35+,36-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248855
PNG
(14beta-Acetoyloxy-17-cyclopropylmethyl-4,5alpha-ep...)
Show SMILES CC(=O)O[C@]12CC[C@@H](NC(=O)\C=C\c3ccccc3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C31H34N2O5/c1-19(34)38-31-14-13-23(32-26(36)12-9-20-5-3-2-4-6-20)29-30(31)15-16-33(18-21-7-8-21)25(31)17-22-10-11-24(35)28(37-29)27(22)30/h2-6,9-12,21,23,25,29,35H,7-8,13-18H2,1H3,(H,32,36)/b12-9+/t23-,25-,29+,30+,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248826
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES COc1ccccc1\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C30H34N2O5/c1-36-23-5-3-2-4-19(23)9-11-25(34)31-21-12-13-30(35)24-16-20-8-10-22(33)27-26(20)29(30,28(21)37-27)14-15-32(24)17-18-6-7-18/h2-5,8-11,18,21,24,28,33,35H,6-7,12-17H2,1H3,(H,31,34)/b11-9+/t21-,24-,28+,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.950n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248793
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,8-11,19,21,23,27,32,34H,6-7,12-17H2,(H,30,33)/b11-8+/t21-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.80n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248825
PNG
((2E)-3-(2-chlorophenyl)-N-[(1S,5R,13R,14R,17S)-4-(...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1Cl |r|
Show InChI InChI=1S/C29H31ClN2O4/c30-20-4-2-1-3-18(20)8-10-24(34)31-21-11-12-29(35)23-15-19-7-9-22(33)26-25(19)28(29,27(21)36-26)13-14-32(23)16-17-5-6-17/h1-4,7-10,17,21,23,27,33,35H,5-6,11-16H2,(H,31,34)/b10-8+/t21-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.400n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50248793
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H32N2O4/c32-22-10-9-20-16-23-29(34)13-12-21(30-24(33)11-8-18-4-2-1-3-5-18)27-28(29,25(20)26(22)35-27)14-15-31(23)17-19-6-7-19/h1-5,8-11,19,21,23,27,32,34H,6-7,12-17H2,(H,30,33)/b11-8+/t21-,23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.120n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248857
PNG
((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydro...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)Cc1ccccc1)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C37H38N2O5/c40-29-15-14-27-22-30-37(44-32(42)21-25-9-5-2-6-10-25)18-17-28(38-31(41)16-13-24-7-3-1-4-8-24)35-36(37,33(27)34(29)43-35)19-20-39(30)23-26-11-12-26/h1-10,13-16,26,28,30,35,40H,11-12,17-23H2,(H,38,41)/b16-13+/t28-,30-,35+,36+,37-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50248828
PNG
(14beta-Allyloxy-17-cyclopropylmethyl-4,5alpha-epox...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCC=C)NC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C32H36N2O4/c1-2-18-37-32-15-14-24(33-27(36)13-10-21-6-4-3-5-7-21)30-31(32)16-17-34(20-22-8-9-22)26(32)19-23-11-12-25(35)29(38-30)28(23)31/h2-7,10-13,22,24,26,30,35H,1,8-9,14-20H2,(H,33,36)/b13-10+/t24-,26-,30+,31+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.600n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 1546-52 (2009)


Article DOI: 10.1021/jm8015552
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%