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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu & delta' and Ligand = 'BDBM50393726'   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393726
PNG
(CHEMBL2159112)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C24H30N4O2/c1-14(2)22(23-26-13-21(27-23)17-8-6-5-7-9-17)28-24(30)20(25)12-19-15(3)10-18(29)11-16(19)4/h5-11,13-14,20,22,29H,12,25H2,1-4H3,(H,26,27)(H,28,30)/t20-,22-/s2
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Similars

Article
PubMed
5.20E+3n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair