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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 = 'BDBM50101995'   
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))
BDBM50101995
PNG
(CHEMBL3326771)
Show SMILES CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)CCCCCN1C[C@H](Cc2ccc(O)cc2)NC1=S |r|
Show InChI InChI=1S/C32H47N5OS2/c1-24(2)18-28-21-33-31(39)37(28)23-29(20-25-10-6-4-7-11-25)35(3)16-8-5-9-17-36-22-27(34-32(36)40)19-26-12-14-30(38)15-13-26/h4,6-7,10-15,24,27-29,38H,5,8-9,16-23H2,1-3H3,(H,33,39)(H,34,40)/t27-,28-,29-/m0/s1
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Similars

Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



University of Monastir

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 4482-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.090
BindingDB Entry DOI: 10.7270/Q26T0PDD
More data for this
Ligand-Target Pair