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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 = 'BDBM50381032'   
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


(MOUSE)
BDBM50381032
PNG
(CHEMBL2017148)
Show SMILES Oc1ccc2CC34C[C@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-9,14,19,21,30H,6-7,10-13,15-18H2,(H,28,31)/t21-,26?,27?/m0/s1
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
80.8n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50381032
PNG
(CHEMBL2017148)
Show SMILES Oc1ccc2CC34C[C@H](CCC3(CCN(CC3CC3)C4)c2c1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C27H32N2O2/c30-23-9-8-20-15-26-16-21(25(31)28-22-4-2-1-3-5-22)10-11-27(26,24(20)14-23)12-13-29(18-26)17-19-6-7-19/h1-5,8-9,14,19,21,30H,6-7,10-13,15-18H2,(H,28,31)/t21-,26?,27?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
207n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 22: 2775-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.082
BindingDB Entry DOI: 10.7270/Q23X87PR
More data for this
Ligand-Target Pair