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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50256686'   
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))
BDBM50256686
PNG
(CHEMBL4064665)
Show SMILES OC(=O)C(O)=O.[H][C@@]12CCC[C@@](CCN1CC\C=C\c1ccccc1)([C@H]2O)c1cccc(O)c1 |r,THB:15:14:10.9.8:25|
Show InChI InChI=1S/C24H29NO2.C2H2O4/c26-21-12-6-11-20(18-21)24-14-7-13-22(23(24)27)25(17-15-24)16-5-4-10-19-8-2-1-3-9-19;3-1(4)2(5)6/h1-4,6,8-12,18,22-23,26-27H,5,7,13-17H2;(H,3,4)(H,5,6)/b10-4+;/t22-,23-,24-;/m0./s1
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Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr by...


Bioorg Med Chem 25: 2406-2422 (2017)


Article DOI: 10.1016/j.bmc.2017.02.064
BindingDB Entry DOI: 10.7270/Q2765HS8
More data for this
Ligand-Target Pair