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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 = 'BDBM50258881'   
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))
BDBM50258881
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H25Cl2NO/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)29-19-14-15-20(29)17-26(30,16-19)18-8-2-1-3-9-18/h1-13,19-20,25,30H,14-17H2
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Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50258881
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:0:1:8:4.5|
Show InChI InChI=1S/C26H25Cl2NO/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)29-19-14-15-20(29)17-26(30,16-19)18-8-2-1-3-9-18/h1-13,19-20,25,30H,14-17H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 337n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GDP-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair