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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50204315'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50204315
PNG
(CHEMBL3916685)
Show SMILES [H][C@]12CCN([C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H])S(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C21H29NO3S/c1-3-17-18-5-4-6-19-21(18)15(13-20(17)23)11-12-22(19)26(24,25)16-9-7-14(2)8-10-16/h7-10,15,17-19,21H,3-6,11-13H2,1-2H3/t15-,17+,18+,19+,21+/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method


Bioorg Med Chem Lett 26: 5689-5694 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R
More data for this
Ligand-Target Pair