BindingDB logo
myBDB logout

PubMed code 21570305

Compile data set for download or QSAR
Found 13 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))
BDBM50349897
PNG
(CHEMBL1814705)
Show SMILES Oc1cccc2c1O[C@@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3 |r|
Show InChI InChI=1S/C22H25NO2/c24-19-10-4-9-18-21(19)25-20-15-23(13-11-16-6-2-1-3-7-16)17-8-5-12-22(18,20)14-17/h1-4,6-7,9-10,17,20,24H,5,8,11-15H2/t17?,20-,22+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 19: 3434-43 (2011)


Article DOI: 10.1016/j.bmc.2011.04.028
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 19: 3434-43 (2011)


Article DOI: 10.1016/j.bmc.2011.04.028
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50349897
PNG
(CHEMBL1814705)
Show SMILES Oc1cccc2c1O[C@@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3 |r|
Show InChI InChI=1S/C22H25NO2/c24-19-10-4-9-18-21(19)25-20-15-23(13-11-16-6-2-1-3-7-16)17-8-5-12-22(18,20)14-17/h1-4,6-7,9-10,17,20,24H,5,8,11-15H2/t17?,20-,22+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
51n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 19: 3434-43 (2011)


Article DOI: 10.1016/j.bmc.2011.04.028
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50349896
PNG
(CHEMBL1814704)
Show SMILES Oc1ccc2O[C@@H]3CN(CCc4ccccc4)[C@@H]4CCC[C@]3(C4)c2c1 |r|
Show InChI InChI=1S/C22H25NO2/c24-18-8-9-20-19(13-18)22-11-4-7-17(14-22)23(15-21(22)25-20)12-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,21,24H,4,7,10-12,14-15H2/t17?,21-,22+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
67n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 19: 3434-43 (2011)


Article DOI: 10.1016/j.bmc.2011.04.028
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50349894
PNG
(CHEMBL1814702)
Show SMILES CN1C[C@H]2Oc3c(cccc3O)[C@@]22CCC[C@@H]1C2 |r|
Show InChI InChI=1S/C15H19NO2/c1-16-9-13-15(7-3-4-10(16)8-15)11-5-2-6-12(17)14(11)18-13/h2,5-6,10,13,17H,3-4,7-9H2,1H3/t10?,13-,15+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
619n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 19: 3434-43 (2011)


Article DOI: 10.1016/j.bmc.2011.04.028
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50349895
PNG
(CHEMBL1814703)
Show SMILES CN1C[C@H]2Oc3ccc(O)cc3[C@@]22CCC[C@@H]1C2 |r|
Show InChI InChI=1S/C15H19NO2/c1-16-9-14-15(6-2-3-10(16)8-15)12-7-11(17)4-5-13(12)18-14/h4-5,7,10,14,17H,2-3,6,8-9H2,1H3/t10?,14-,15+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.08E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 19: 3434-43 (2011)


Article DOI: 10.1016/j.bmc.2011.04.028
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50349896
PNG
(CHEMBL1814704)
Show SMILES Oc1ccc2O[C@@H]3CN(CCc4ccccc4)[C@@H]4CCC[C@]3(C4)c2c1 |r|
Show InChI InChI=1S/C22H25NO2/c24-18-8-9-20-19(13-18)22-11-4-7-17(14-22)23(15-21(22)25-20)12-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,21,24H,4,7,10-12,14-15H2/t17?,21-,22+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.23E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 19: 3434-43 (2011)


Article DOI: 10.1016/j.bmc.2011.04.028
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50349897
PNG
(CHEMBL1814705)
Show SMILES Oc1cccc2c1O[C@@H]1CN(CCc3ccccc3)[C@@H]3CCC[C@]21C3 |r|
Show InChI InChI=1S/C22H25NO2/c24-19-10-4-9-18-21(19)25-20-15-23(13-11-16-6-2-1-3-7-16)17-8-5-12-22(18,20)14-17/h1-4,6-7,9-10,17,20,24H,5,8,11-15H2/t17?,20-,22+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.23E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in recombinant hDOR-CHO cells after 2 hrs by liquid scintillation co...


Bioorg Med Chem 19: 3434-43 (2011)


Article DOI: 10.1016/j.bmc.2011.04.028
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50349896
PNG
(CHEMBL1814704)
Show SMILES Oc1ccc2O[C@@H]3CN(CCc4ccccc4)[C@@H]4CCC[C@]3(C4)c2c1 |r|
Show InChI InChI=1S/C22H25NO2/c24-18-8-9-20-19(13-18)22-11-4-7-17(14-22)23(15-21(22)25-20)12-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,17,21,24H,4,7,10-12,14-15H2/t17?,21-,22+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.25E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in recombinant hDOR-CHO cells after 2 hrs by liquid scintillation co...


Bioorg Med Chem 19: 3434-43 (2011)


Article DOI: 10.1016/j.bmc.2011.04.028
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50349895
PNG
(CHEMBL1814703)
Show SMILES CN1C[C@H]2Oc3ccc(O)cc3[C@@]22CCC[C@@H]1C2 |r|
Show InChI InChI=1S/C15H19NO2/c1-16-9-14-15(6-2-3-10(16)8-15)12-7-11(17)4-5-13(12)18-14/h4-5,7,10,14,17H,2-3,6,8-9H2,1H3/t10?,14-,15+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 19: 3434-43 (2011)


Article DOI: 10.1016/j.bmc.2011.04.028
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50349894
PNG
(CHEMBL1814702)
Show SMILES CN1C[C@H]2Oc3c(cccc3O)[C@@]22CCC[C@@H]1C2 |r|
Show InChI InChI=1S/C15H19NO2/c1-16-9-13-15(7-3-4-10(16)8-15)11-5-2-6-12(17)14(11)18-13/h2,5-6,10,13,17H,3-4,7-9H2,1H3/t10?,13-,15+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.20E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in recombinant hDOR-CHO cells after 2 hrs by liquid scintillation co...


Bioorg Med Chem 19: 3434-43 (2011)


Article DOI: 10.1016/j.bmc.2011.04.028
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50349895
PNG
(CHEMBL1814703)
Show SMILES CN1C[C@H]2Oc3ccc(O)cc3[C@@]22CCC[C@@H]1C2 |r|
Show InChI InChI=1S/C15H19NO2/c1-16-9-14-15(6-2-3-10(16)8-15)12-7-11(17)4-5-13(12)18-14/h4-5,7,10,14,17H,2-3,6,8-9H2,1H3/t10?,14-,15+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.20E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in recombinant hDOR-CHO cells after 2 hrs by liquid scintillation co...


Bioorg Med Chem 19: 3434-43 (2011)


Article DOI: 10.1016/j.bmc.2011.04.028
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50349894
PNG
(CHEMBL1814702)
Show SMILES CN1C[C@H]2Oc3c(cccc3O)[C@@]22CCC[C@@H]1C2 |r|
Show InChI InChI=1S/C15H19NO2/c1-16-9-13-15(7-3-4-10(16)8-15)11-5-2-6-12(17)14(11)18-13/h2,5-6,10,13,17H,3-4,7-9H2,1H3/t10?,13-,15+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 19: 3434-43 (2011)


Article DOI: 10.1016/j.bmc.2011.04.028
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%