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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 = 'BDBM83300'   
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))
BDBM83300
PNG
(1-(4-ethylphenyl)-3-(3-keto-4-methyl-1,4-benzothia...)
Show SMILES CCc1ccc(NC(=O)Nc2ccc3SCC(=O)N(C)c3c2)cc1
Show InChI InChI=1S/C18H19N3O2S/c1-3-12-4-6-13(7-5-12)19-18(23)20-14-8-9-16-15(10-14)21(2)17(22)11-24-16/h4-10H,3,11H2,1-2H3,(H2,19,20,23)
PDB

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Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.57E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair