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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 = 'BDBM46296'   
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))
BDBM46296
PNG
((2-methoxyphenyl)-[4-(2-methylimidazo[1,2-a]pyrimi...)
Show SMILES COc1ccccc1Nc1nc(cs1)-c1c(C)nc2ncccn12
Show InChI InChI=1S/C17H15N5OS/c1-11-15(22-9-5-8-18-16(22)19-11)13-10-24-17(21-13)20-12-6-3-4-7-14(12)23-2/h3-10H,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.22E+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))
BDBM46296
PNG
((2-methoxyphenyl)-[4-(2-methylimidazo[1,2-a]pyrimi...)
Show SMILES COc1ccccc1Nc1nc(cs1)-c1c(C)nc2ncccn12
Show InChI InChI=1S/C17H15N5OS/c1-11-15(22-9-5-8-18-16(22)19-11)13-10-24-17(21-13)20-12-6-3-4-7-14(12)23-2/h3-10H,1-2H3,(H,20,21)
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 2.70E+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