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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 = 'BDBM50326681'   
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))
BDBM50326681
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.830n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50326681
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair