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PubMed code 23017884

Compile data set for download or QSAR
Found 4 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))
BDBM50394031
PNG
(CHEMBL2158541)
Show SMILES CC(C)C[C@H](CN(C=O)[C@@H](CN(CCN(CCN(C=O)[C@@H](CN)Cc1ccc(O)cc1)C=O)C=O)Cc1ccccc1)NS(C)(=O)=O |r|
Show InChI InChI=1S/C33H50N6O7S/c1-27(2)17-30(35-47(3,45)46)21-39(26-43)32(19-28-7-5-4-6-8-28)22-37(24-41)14-13-36(23-40)15-16-38(25-42)31(20-34)18-29-9-11-33(44)12-10-29/h4-12,23-27,30-32,35,44H,13-22,34H2,1-3H3/t30-,31-,32-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
400n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu-opioid receptor expressed in CHO cells after 60 mins by liquid scintillation assay


Bioorg Med Chem Lett 22: 6580-2 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.008
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50394031
PNG
(CHEMBL2158541)
Show SMILES CC(C)C[C@H](CN(C=O)[C@@H](CN(CCN(CCN(C=O)[C@@H](CN)Cc1ccc(O)cc1)C=O)C=O)Cc1ccccc1)NS(C)(=O)=O |r|
Show InChI InChI=1S/C33H50N6O7S/c1-27(2)17-30(35-47(3,45)46)21-39(26-43)32(19-28-7-5-4-6-8-28)22-37(24-41)14-13-36(23-40)15-16-38(25-42)31(20-34)18-29-9-11-33(44)12-10-29/h4-12,23-27,30-32,35,44H,13-22,34H2,1-3H3/t30-,31-,32-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant kappa-opioid receptor expressed in CHO cells after 60 mins by liquid scintillation assay


Bioorg Med Chem Lett 22: 6580-2 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.008
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50394031
PNG
(CHEMBL2158541)
Show SMILES CC(C)C[C@H](CN(C=O)[C@@H](CN(CCN(CCN(C=O)[C@@H](CN)Cc1ccc(O)cc1)C=O)C=O)Cc1ccccc1)NS(C)(=O)=O |r|
Show InChI InChI=1S/C33H50N6O7S/c1-27(2)17-30(35-47(3,45)46)21-39(26-43)32(19-28-7-5-4-6-8-28)22-37(24-41)14-13-36(23-40)15-16-38(25-42)31(20-34)18-29-9-11-33(44)12-10-29/h4-12,23-27,30-32,35,44H,13-22,34H2,1-3H3/t30-,31-,32-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from human recombinant delta-opioid receptor expressed in CHO cells after 60 mins by liquid scintillation assay


Bioorg Med Chem Lett 22: 6580-2 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.008
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50394031
PNG
(CHEMBL2158541)
Show SMILES CC(C)C[C@H](CN(C=O)[C@@H](CN(CCN(CCN(C=O)[C@@H](CN)Cc1ccc(O)cc1)C=O)C=O)Cc1ccccc1)NS(C)(=O)=O |r|
Show InChI InChI=1S/C33H50N6O7S/c1-27(2)17-30(35-47(3,45)46)21-39(26-43)32(19-28-7-5-4-6-8-28)22-37(24-41)14-13-36(23-40)15-16-38(25-42)31(20-34)18-29-9-11-33(44)12-10-29/h4-12,23-27,30-32,35,44H,13-22,34H2,1-3H3/t30-,31-,32-/m1/s1
PDB

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Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu-opioid receptor expressed in CHO cells after 60 mins by liquid scintillation assay


Bioorg Med Chem Lett 22: 6580-2 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.008
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%