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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 = 'BDBM46295'   
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))
BDBM46295
PNG
(4-(2-methyl-3-imidazo[1,2-a]pyrimidinyl)-N-(4-meth...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2ccc(C)cc2)n1
Show InChI InChI=1S/C17H15N5S/c1-11-4-6-13(7-5-11)20-17-21-14(10-23-17)15-12(2)19-16-18-8-3-9-22(15)16/h3-10H,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Similars

PCBioAssay
n/an/an/an/a 3.48E+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))
BDBM46295
PNG
(4-(2-methyl-3-imidazo[1,2-a]pyrimidinyl)-N-(4-meth...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2ccc(C)cc2)n1
Show InChI InChI=1S/C17H15N5S/c1-11-4-6-13(7-5-11)20-17-21-14(10-23-17)15-12(2)19-16-18-8-3-9-22(15)16/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

Patents


Similars

PCBioAssay
n/an/an/an/a 1.84E+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