BindingDB logo
myBDB logout

PubMed code 19842669

Compile data set for download or QSAR
Found 34 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))
BDBM50195678
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h1-2,5-10,19,24,27,31,33H,3-4,11-17H2/b2-1+/t24-,27+,28+,29-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.320n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195678
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h1-2,5-10,19,24,27,31,33H,3-4,11-17H2/b2-1+/t24-,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
0.630n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195677
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h2-3,6-11,20,25,28,32H,4-5,12-18H2,1H3/b3-2+/t25-,28+,29+,30-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195678
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h1-2,5-10,19,24,27,31,33H,3-4,11-17H2/b2-1+/t24-,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
0.910n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50299727
PNG
(CHEMBL574175 | N-Cyclopropylmethyl-14beta-[3'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h5-10,19,24,27,31,33H,3-4,11-17H2/t24-,27+,28+,29-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.970n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50299728
PNG
(CHEMBL575682 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C29H28N2O4/c32-21-10-9-20-16-23-29(30-24(34)11-8-18-4-2-1-3-5-18)13-12-22(33)27-28(29,25(20)26(21)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,23,27,32H,6-7,12-17H2,(H,30,34)/t23-,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
1.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50299728
PNG
(CHEMBL575682 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C29H28N2O4/c32-21-10-9-20-16-23-29(30-24(34)11-8-18-4-2-1-3-5-18)13-12-22(33)27-28(29,25(20)26(21)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,23,27,32H,6-7,12-17H2,(H,30,34)/t23-,27+,28+,29-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,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
1.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50299729
PNG
(CHEMBL575451 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C30H30N2O4/c1-35-23-11-10-21-17-24-30(31-25(34)12-9-19-5-3-2-4-6-19)14-13-22(33)28-29(30,26(21)27(23)36-28)15-16-32(24)18-20-7-8-20/h2-6,10-11,20,24,28H,7-8,13-18H2,1H3,(H,31,34)/t24-,28+,29+,30-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50299728
PNG
(CHEMBL575682 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C29H28N2O4/c32-21-10-9-20-16-23-29(30-24(34)11-8-18-4-2-1-3-5-18)13-12-22(33)27-28(29,25(20)26(21)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,23,27,32H,6-7,12-17H2,(H,30,34)/t23-,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
1.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,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
2.70n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50299730
PNG
(CHEMBL574397 | N-Cyclopropylmethyl-14beta-[4'-chlo...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H27ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-4,6-9,18,23,27,33H,1-2,11-16H2,(H,31,35)/t23-,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
2.70n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50299727
PNG
(CHEMBL574175 | N-Cyclopropylmethyl-14beta-[3'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h5-10,19,24,27,31,33H,3-4,11-17H2/t24-,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
2.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50299727
PNG
(CHEMBL574175 | N-Cyclopropylmethyl-14beta-[3'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h5-10,19,24,27,31,33H,3-4,11-17H2/t24-,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
3.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50299730
PNG
(CHEMBL574397 | N-Cyclopropylmethyl-14beta-[4'-chlo...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H27ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-4,6-9,18,23,27,33H,1-2,11-16H2,(H,31,35)/t23-,27+,28+,29-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.80n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195674
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6+/t24-,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
4.80n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195674
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6+/t24-,28+,29+,30-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.80n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50299730
PNG
(CHEMBL574397 | N-Cyclopropylmethyl-14beta-[4'-chlo...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H27ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-4,6-9,18,23,27,33H,1-2,11-16H2,(H,31,35)/t23-,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
5.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50299731
PNG
(CHEMBL578422 | N-Cyclopropylmethyl-14beta-[4'-chlo...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H29ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-5,7-10,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/t24-,28+,29+,30-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50299729
PNG
(CHEMBL575451 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C30H30N2O4/c1-35-23-11-10-21-17-24-30(31-25(34)12-9-19-5-3-2-4-6-19)14-13-22(33)28-29(30,26(21)27(23)36-28)15-16-32(24)18-20-7-8-20/h2-6,10-11,20,24,28H,7-8,13-18H2,1H3,(H,31,34)/t24-,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
7.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50299732
PNG
(CHEMBL577168 | N-Cyclopropylmethyl-14beta-[3'-(4''...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H31ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h6-11,20,25,28,32H,4-5,12-18H2,1H3/t25-,28+,29+,30-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.70n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50299731
PNG
(CHEMBL578422 | N-Cyclopropylmethyl-14beta-[4'-chlo...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H29ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-5,7-10,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/t24-,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
14n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195674
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6+/t24-,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
16n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50299729
PNG
(CHEMBL575451 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C30H30N2O4/c1-35-23-11-10-21-17-24-30(31-25(34)12-9-19-5-3-2-4-6-19)14-13-22(33)28-29(30,26(21)27(23)36-28)15-16-32(24)18-20-7-8-20/h2-6,10-11,20,24,28H,7-8,13-18H2,1H3,(H,31,34)/t24-,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
28n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195677
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h2-3,6-11,20,25,28,32H,4-5,12-18H2,1H3/b3-2+/t25-,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
45n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195677
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h2-3,6-11,20,25,28,32H,4-5,12-18H2,1H3/b3-2+/t25-,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
54n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50299731
PNG
(CHEMBL578422 | N-Cyclopropylmethyl-14beta-[4'-chlo...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H29ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-5,7-10,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/t24-,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
65n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50299732
PNG
(CHEMBL577168 | N-Cyclopropylmethyl-14beta-[3'-(4''...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H31ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h6-11,20,25,28,32H,4-5,12-18H2,1H3/t25-,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
74n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50299732
PNG
(CHEMBL577168 | N-Cyclopropylmethyl-14beta-[3'-(4''...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H31ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h6-11,20,25,28,32H,4-5,12-18H2,1H3/t25-,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
136n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50299728
PNG
(CHEMBL575682 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C29H28N2O4/c32-21-10-9-20-16-23-29(30-24(34)11-8-18-4-2-1-3-5-18)13-12-22(33)27-28(29,25(20)26(21)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,23,27,32H,6-7,12-17H2,(H,30,34)/t23-,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 0.300n/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50299731
PNG
(CHEMBL578422 | N-Cyclopropylmethyl-14beta-[4'-chlo...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H29ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-5,7-10,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/t24-,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 20n/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50299729
PNG
(CHEMBL575451 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C30H30N2O4/c1-35-23-11-10-21-17-24-30(31-25(34)12-9-19-5-3-2-4-6-19)14-13-22(33)28-29(30,26(21)27(23)36-28)15-16-32(24)18-20-7-8-20/h2-6,10-11,20,24,28H,7-8,13-18H2,1H3,(H,31,34)/t24-,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 3.20n/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50299729
PNG
(CHEMBL575451 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C30H30N2O4/c1-35-23-11-10-21-17-24-30(31-25(34)12-9-19-5-3-2-4-6-19)14-13-22(33)28-29(30,26(21)27(23)36-28)15-16-32(24)18-20-7-8-20/h2-6,10-11,20,24,28H,7-8,13-18H2,1H3,(H,31,34)/t24-,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 75n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%