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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 = 'BDBM50303852'   
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))
BDBM50303852
PNG
((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,23-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303852
PNG
((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,23-/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
0.300n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair