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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 = 'BDBM50386664'   
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))
BDBM50386664
PNG
(CHEMBL2048772)
Show SMILES Oc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-5-3-4-20(14-23)17-28-22-10-9-21-15-26-24-6-1-2-11-27(24,25(21)16-22)12-13-29(26)18-19-7-8-19/h3-5,9-10,14,16,19,24,26,28,30H,1-2,6-8,11-13,15,17-18H2/t24-,26+,27+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50386664
PNG
(CHEMBL2048772)
Show SMILES Oc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-5-3-4-20(14-23)17-28-22-10-9-21-15-26-24-6-1-2-11-27(24,25(21)16-22)12-13-29(26)18-19-7-8-19/h3-5,9-10,14,16,19,24,26,28,30H,1-2,6-8,11-13,15,17-18H2/t24-,26+,27+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...


J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair