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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 = 'BDBM50276412'   
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))
BDBM50276412
PNG
((+/-)-3,4-dichloro-N-(2-methoxyethyl)-N-(2-(4-phen...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 |c:7|
Show InChI InChI=1S/C30H31Cl2N3O2/c1-37-20-19-35(30(36)23-11-13-26(31)27(32)21-23)29-25-10-6-5-7-22(25)12-14-28(29)34-17-15-33(16-18-34)24-8-3-2-4-9-24/h2-14,21,28-29H,15-20H2,1H3
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 443n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50276412
PNG
((+/-)-3,4-dichloro-N-(2-methoxyethyl)-N-(2-(4-phen...)
Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 |c:7|
Show InChI InChI=1S/C30H31Cl2N3O2/c1-37-20-19-35(30(36)23-11-13-26(31)27(32)21-23)29-25-10-6-5-7-22(25)12-14-28(29)34-17-15-33(16-18-34)24-8-3-2-4-9-24/h2-14,21,28-29H,15-20H2,1H3
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/an/an/a>9.00E+4n/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Activity at human cloned mu opioid receptor assessed as reversal of DAMGO-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 1228-32 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.095
BindingDB Entry DOI: 10.7270/Q2GT5N2W
More data for this
Ligand-Target Pair