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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 = 'BDBM50542605'   
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))
BDBM50542605
PNG
(CHEMBL4648915)
Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C25H26N2O4/c1-30-21-12-6-19(7-13-21)24-3-2-16-27(24)17-18-4-10-22(11-5-18)31-23-14-8-20(9-15-23)25(28)26-29/h4-15,24,29H,2-3,16-17H2,1H3,(H,26,28)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.31E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50542605
PNG
(CHEMBL4648915)
Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C25H26N2O4/c1-30-21-12-6-19(7-13-21)24-3-2-16-27(24)17-18-4-10-22(11-5-18)31-23-14-8-20(9-15-23)25(28)26-29/h4-15,24,29H,2-3,16-17H2,1H3,(H,26,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 202n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opiod receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding incubated for 4 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127236
BindingDB Entry DOI: 10.7270/Q2C82DVQ
More data for this
Ligand-Target Pair