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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 = 'BDBM50136604'   
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))
BDBM50136604
PNG
(CHEMBL138036 | [3-((3R,4R)-3,4-Dimethyl-1-phenethy...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(CO)c1
Show InChI InChI=1S/C22H29NO/c1-18-16-23(13-11-19-7-4-3-5-8-19)14-12-22(18,2)21-10-6-9-20(15-21)17-24/h3-10,15,18,24H,11-14,16-17H2,1-2H3/t18-,22+/m0/s1
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PC cid
PC sid
UniChem

Similars

PubMed
11n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor


Bioorg Med Chem Lett 13: 4459-62 (2003)


BindingDB Entry DOI: 10.7270/Q2RV0P7G
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50136604
PNG
(CHEMBL138036 | [3-((3R,4R)-3,4-Dimethyl-1-phenethy...)
Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(CO)c1
Show InChI InChI=1S/C22H29NO/c1-18-16-23(13-11-19-7-4-3-5-8-19)14-12-22(18,2)21-10-6-9-20(15-21)17-24/h3-10,15,18,24H,11-14,16-17H2,1-2H3/t18-,22+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.10n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit agonist (loperamide) stimulated [35S]GTP-gamma-S, binding to membranes containingthe cloned human mu opioid recepto...


Bioorg Med Chem Lett 13: 4459-62 (2003)


BindingDB Entry DOI: 10.7270/Q2RV0P7G
More data for this
Ligand-Target Pair