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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase Mu 1' and Ligand = 'BDBM47569'   
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
Glutathione S-transferase Mu 1


(Homo sapiens (Human))
BDBM47569
PNG
(2-(3-Ethoxy-phenylamino)-9,10-dimethoxy-6,7-dihydr...)
Show SMILES CCOc1cccc(Nc2cc3-c4cc(OC)c(OC)cc4CCn3c(=O)n2)c1
Show InChI InChI=1S/C22H23N3O4/c1-4-29-16-7-5-6-15(11-16)23-21-13-18-17-12-20(28-3)19(27-2)10-14(17)8-9-25(18)22(26)24-21/h5-7,10-13H,4,8-9H2,1-3H3,(H,23,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.45E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair