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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 = 'BDBM50154308'   
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


(Rattus norvegicus (rat))
BDBM50154308
PNG
(CHEMBL362739 | [(5R,9S,12S,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30+,31+/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50154308
PNG
(CHEMBL362739 | [(5R,9S,12S,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30+,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair