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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 = 'BDBM50154200'   
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))
BDBM50154200
PNG
(7-amino-6-methoxy-8,8-dimethyl-5,6,7,8-tetrahydron...)
Show SMILES CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
Show InChI InChI=1S/C13H19NO2/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12+/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to human Mu opioid receptor expressed in CHO cells


J Med Chem 47: 5069-75 (2004)


Article DOI: 10.1021/jm040807s
BindingDB Entry DOI: 10.7270/Q2S46SQB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50154200
PNG
(7-amino-6-methoxy-8,8-dimethyl-5,6,7,8-tetrahydron...)
Show SMILES CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1N
Show InChI InChI=1S/C13H19NO2/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 234n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTP[gammaS] binding


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair