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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 = 'BDBM58506'   
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))
BDBM58506
PNG
(5-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-4-phenyl-...)
Show SMILES CCc1ccc(Nc2n[n+](c(s2)-c2c(Cl)cccc2Cl)-c2ccccc2)cc1 |(10.62,16.06,;9.72,14.82,;10.35,13.41,;11.88,13.25,;12.5,11.84,;11.6,10.6,;12.22,9.19,;11.32,7.94,;9.78,7.94,;9.3,6.48,;10.55,5.57,;11.79,6.48,;10.55,4.03,;9.22,3.26,;7.68,3.26,;9.22,1.72,;10.55,.95,;11.88,1.72,;11.88,3.26,;13.22,4.03,;7.8,6.8,;6.77,5.66,;5.26,5.98,;4.78,7.44,;5.81,8.59,;7.32,8.27,;10.07,10.76,;9.44,12.17,)|
Show InChI InChI=1S/C22H18Cl2N3S/c1-2-15-11-13-16(14-12-15)25-22-26-27(17-7-4-3-5-8-17)21(28-22)20-18(23)9-6-10-19(20)24/h3-14H,2H2,1H3,(H,25,26)/q+1
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PCBioAssay
n/an/an/an/a 1.42E+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