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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase Mu 1' and Ligand = 'BDBM46298'   
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))
BDBM46298
PNG
(2-[(1,1-diketo-1,2-benzothiazol-3-yl)-[(3-methylbe...)
Show SMILES Cc1cccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)c1 |w:7.7,t:12|
Show InChI InChI=1S/C17H17N3O3S/c1-13-5-4-6-14(11-13)12-18-20(9-10-21)17-15-7-2-3-8-16(15)24(22,23)19-17/h2-8,11-12,21H,9-10H2,1H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.02E+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
Glutathione S-transferase Mu 1


(Homo sapiens (Human))
BDBM46298
PNG
(2-[(1,1-diketo-1,2-benzothiazol-3-yl)-[(3-methylbe...)
Show SMILES Cc1cccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)c1 |w:7.7,t:12|
Show InChI InChI=1S/C17H17N3O3S/c1-13-5-4-6-14(11-13)12-18-20(9-10-21)17-15-7-2-3-8-16(15)24(22,23)19-17/h2-8,11-12,21H,9-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.64E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M61HPT
More data for this
Ligand-Target Pair