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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Folylpoly-gamma-glutamate synthetase' and Ligand = 'BDBM50080450'   
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
Folylpoly-gamma-glutamate synthetase


(Homo sapiens (Human))
BDBM50080450
PNG
((S)-5-Amino-2-{5-[(2-amino-4-oxo-3,4,5,6,7,8-hexah...)
Show SMILES NCCC[C@H](N1Cc2cc(NCC3CNc4nc(N)[nH]c(=O)c4C3)ccc2C1=O)C(O)=O
Show InChI InChI=1S/C21H27N7O4/c22-5-1-2-16(20(31)32)28-10-12-7-13(3-4-14(12)19(28)30)24-8-11-6-15-17(25-9-11)26-21(23)27-18(15)29/h3-4,7,11,16,24H,1-2,5-6,8-10,22H2,(H,31,32)(H4,23,25,26,27,29)
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Article
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200n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound as Competitive substrate in the presence of 50 gmM aminopterin towards recombinant Human Folyl-polyglutamate synthas...


J Med Chem 42: 3510-9 (1999)


Article DOI: 10.1021/jm9807205
BindingDB Entry DOI: 10.7270/Q2X929GV
More data for this
Ligand-Target Pair