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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 = 'BDBM50106347'   
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))
BDBM50106347
PNG
(CHEMBL3596367)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:31:6:19:10.17.16,4:5:19:10.17.16|
Show InChI InChI=1/C24H21F3N2O3.ClH/c25-24(26,27)11-29-8-7-22-18-12-5-6-16(30)20(18)32-21(22)19-14(10-23(22,31)17(29)9-12)13-3-1-2-4-15(13)28-19;/h1-6,17,21,28,30-31H,7-11H2;1H/t17-,21+,22+,23-;/s2
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)


BindingDB Entry DOI: 10.7270/Q28C9Z0W
More data for this
Ligand-Target Pair