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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50495227'   
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


(Rattus norvegicus (rat))
BDBM50495227
PNG
(CHEMBL3104103)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCCc2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H37N3O2/c1-20-17-23(30)18-21(2)24(20)19-25(27)26(31)29-15-13-28(14-16-29)12-8-4-7-11-22-9-5-3-6-10-22/h3,5-6,9-10,17-18,25,30H,4,7-8,11-16,19,27H2,1-2H3/t25-/m0/s1
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B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
0.420n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50495227
PNG
(CHEMBL3104103)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCCc2ccccc2)CC1 |r|
Show InChI InChI=1S/C26H37N3O2/c1-20-17-23(30)18-21(2)24(20)19-25(27)26(31)29-15-13-28(14-16-29)12-8-4-7-11-22-9-5-3-6-10-22/h3,5-6,9-10,17-18,25,30H,4,7-8,11-16,19,27H2,1-2H3/t25-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 53n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cells assessed as stimulation of [35S]-GTPgammaS binding after 1 hr by liquid scintill...


Bioorg Med Chem Lett 24: 548-51 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.021
BindingDB Entry DOI: 10.7270/Q2TH8QNG
More data for this
Ligand-Target Pair