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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 = 'BDBM50493823'   
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))
BDBM50493823
PNG
(CHEMBL2443258)
Show SMILES Cc1ccc(CNCC[C@]2(CCOC3(CCCC3)C2)c2ccccn2)o1 |r|
Show InChI InChI=1S/C22H30N2O2/c1-18-7-8-19(26-18)16-23-14-11-21(20-6-2-5-13-24-20)12-15-25-22(17-21)9-3-4-10-22/h2,5-8,13,23H,3-4,9-12,14-17H2,1H3/t21-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 200n/an/an/an/a



Trevena, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as beta-arrestin recruitment by chemiluminescence assay


J Med Chem 56: 8019-31 (2013)


Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50493823
PNG
(CHEMBL2443258)
Show SMILES Cc1ccc(CNCC[C@]2(CCOC3(CCCC3)C2)c2ccccn2)o1 |r|
Show InChI InChI=1S/C22H30N2O2/c1-18-7-8-19(26-18)16-23-14-11-21(20-6-2-5-13-24-20)12-15-25-22(17-21)9-3-4-10-22/h2,5-8,13,23H,3-4,9-12,14-17H2,1H3/t21-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 50n/an/an/an/a



Trevena, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by fluorescen...


J Med Chem 56: 8019-31 (2013)


Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N
More data for this
Ligand-Target Pair