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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 = 'BDBM50259098'   
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))
BDBM50259098
PNG
(CHEMBL3084526 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](Cc3ccc(F)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:2.3|
Show InChI InChI=1S/C28H27Cl2FN2O/c29-24-7-3-1-5-22(24)26(23-6-2-4-8-25(23)30)33-20-13-14-21(33)17-28(16-20,27(32)34)15-18-9-11-19(31)12-10-18/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
85n/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: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259098
PNG
(CHEMBL3084526 | endo-8-(bis(2-chlorophenyl)methyl)...)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@](Cc3ccc(F)cc3)(C1)C(N)=O)N2C(c1ccccc1Cl)c1ccccc1Cl |r,TLB:17:7:20:2.3|
Show InChI InChI=1S/C28H27Cl2FN2O/c29-24-7-3-1-5-22(24)26(23-6-2-4-8-25(23)30)33-20-13-14-21(33)17-28(16-20,27(32)34)15-18-9-11-19(31)12-10-18/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21-/m1/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/an/an/a 540n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 19: 2482-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.057
BindingDB Entry DOI: 10.7270/Q2D21XH9
More data for this
Ligand-Target Pair