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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 = 'BDBM50005866'   
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


(Mus musculus)
BDBM50005866
PNG
(2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyri...)
Show SMILES CCOP(O)(=O)CCC(NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3c2)cc1)C(O)=O
Show InChI InChI=1S/C21H25N6O7P/c1-2-34-35(32,33)8-7-16(20(30)31)25-18(28)13-3-5-14(6-4-13)23-10-12-9-15-17(24-11-12)26-21(22)27-19(15)29/h3-6,9,11,16,23H,2,7-8,10H2,1H3,(H,25,28)(H,30,31)(H,32,33)(H3,22,24,26,27,29)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
2.00E+6n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
In vitro inhibition of mouse liver Folyl-polyglutamate synthase


J Med Chem 35: 1578-88 (1992)


BindingDB Entry DOI: 10.7270/Q2028S6J
More data for this
Ligand-Target Pair