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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 = 'BDBM46297'   
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))
BDBM46297
PNG
(2-[(1,1-diketo-1,2-benzothiazol-3-yl)-(4-pyridylme...)
Show SMILES OCCN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:13|
Show InChI InChI=1S/C15H14N4O3S/c20-10-9-19(17-11-12-5-7-16-8-6-12)15-13-3-1-2-4-14(13)23(21,22)18-15/h1-8,11,20H,9-10H2
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.61E+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))
BDBM46297
PNG
(2-[(1,1-diketo-1,2-benzothiazol-3-yl)-(4-pyridylme...)
Show SMILES OCCN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:13|
Show InChI InChI=1S/C15H14N4O3S/c20-10-9-19(17-11-12-5-7-16-8-6-12)15-13-3-1-2-4-14(13)23(21,22)18-15/h1-8,11,20H,9-10H2
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 4.28E+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