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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Folylpoly-gamma-glutamate synthetase' and Ligand = 'BDBM50002472'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Folylpoly-gamma-glutamate synthetase


(Homo sapiens (Human))
BDBM50002472
PNG
(5-Amino-2-{4-[(2-amino-5-chloro-4-oxo-3,4-dihydro-...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)[nH]c(=O)c3c2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H23ClN6O4/c22-17-12(5-8-14-16(17)19(30)28-21(24)27-14)10-25-13-6-3-11(4-7-13)18(29)26-15(20(31)32)2-1-9-23/h3-8,15,25H,1-2,9-10,23H2,(H,26,29)(H,31,32)(H3,24,27,28,30)
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Article
PubMed
8.30n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against hog liver Folyl polyglutamate synthetase (FPGS)


J Med Chem 35: 4078-85 (1992)


Article DOI: 10.1021/jm00100a013
BindingDB Entry DOI: 10.7270/Q26M35S6
More data for this
Ligand-Target Pair
Folylpoly-gamma-glutamate synthetase


(Homo sapiens (Human))
BDBM50002472
PNG
(5-Amino-2-{4-[(2-amino-5-chloro-4-oxo-3,4-dihydro-...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)[nH]c(=O)c3c2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H23ClN6O4/c22-17-12(5-8-14-16(17)19(30)28-21(24)27-14)10-25-13-6-3-11(4-7-13)18(29)26-15(20(31)32)2-1-9-23/h3-8,15,25H,1-2,9-10,23H2,(H,26,29)(H,31,32)(H3,24,27,28,30)
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Article
PubMed
8.30n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
The apparent Km of compound as a substrate for partially purified mouse liver Folyl-polyglutamate synthase


J Med Chem 32: 1559-65 (1989)


Article DOI: 10.1021/jm00127a026
BindingDB Entry DOI: 10.7270/Q22806MJ
More data for this
Ligand-Target Pair
Folylpoly-gamma-glutamate synthetase


(Homo sapiens (Human))
BDBM50002472
PNG
(5-Amino-2-{4-[(2-amino-5-chloro-4-oxo-3,4-dihydro-...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)[nH]c(=O)c3c2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H23ClN6O4/c22-17-12(5-8-14-16(17)19(30)28-21(24)27-14)10-25-13-6-3-11(4-7-13)18(29)26-15(20(31)32)2-1-9-23/h3-8,15,25H,1-2,9-10,23H2,(H,26,29)(H,31,32)(H3,24,27,28,30)
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GoogleScholar
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Article
PubMed
8.30E+3n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against hog liver Folyl-polyglutamate synthase


J Med Chem 35: 2002-6 (1992)


Article DOI: 10.1021/jm00089a009
BindingDB Entry DOI: 10.7270/Q2X9297Q
More data for this
Ligand-Target Pair