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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 = 'BDBM50361796'   
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))
BDBM50361796
PNG
(CHEMBL1938637)
Show SMILES [#6]-[#8][C@]1([#6])[#8]-[#6@H]-2-[#6@@H](-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]=[#6](-[#6]-[#8]-[#6](-[#6])=O)-[#6](=O)-[#6@@H]-2-[#8][C@@]1([#6])[#8]-[#6] |r,t:18|
Show InChI InChI=1S/C25H38O8/c1-16(2)10-9-11-17(3)12-13-30-20-14-19(15-31-18(4)26)21(27)23-22(20)32-24(5,28-7)25(6,29-8)33-23/h10,12,14,20,22-23H,9,11,13,15H2,1-8H3/b17-12+/t20-,22-,23-,24+,25+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.77E+5n/an/an/an/an/an/a



Institute of Chemistry, Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of human GSTM1 using GSH as substrate after 3 mins by spectrophotometry


J Med Chem 54: 8574-81 (2011)


Article DOI: 10.1021/jm201131n
BindingDB Entry DOI: 10.7270/Q26D5TDT
More data for this
Ligand-Target Pair