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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 = 'BDBM50177697'   
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))
BDBM50177697
PNG
(3-(2-alpha-(2-aminoethyl)-trans-4,5-dimethyl-1-phe...)
Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCN)C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C23H32N2O/c1-18-17-25(14-12-19-7-4-3-5-8-19)21(11-13-24)16-23(18,2)20-9-6-10-22(26)15-20/h3-10,15,18,21,26H,11-14,16-17,24H2,1-2H3/t18-,21+,23+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
780n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor


Bioorg Med Chem Lett 16: 864-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4J1J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50177697
PNG
(3-(2-alpha-(2-aminoethyl)-trans-4,5-dimethyl-1-phe...)
Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCN)C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C23H32N2O/c1-18-17-25(14-12-19-7-4-3-5-8-19)21(11-13-24)16-23(18,2)20-9-6-10-22(26)15-20/h3-10,15,18,21,26H,11-14,16-17,24H2,1-2H3/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
n/an/a 390n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of loperamide-stimulated [35S]GTPgammaS binding to membranes containing mu opioid receptor


Bioorg Med Chem Lett 16: 864-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4J1J
More data for this
Ligand-Target Pair