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PubMed code 6546949

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50028119
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CS(O)(=O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C17H18N8O6S/c18-13-12-14(25-17(19)24-13)21-6-10(22-12)5-20-9-3-1-8(2-4-9)15(26)23-11(16(27)28)7-32(29,30)31/h1-4,6,11,20H,5,7H2,(H,23,26)(H,27,28)(H,29,30,31)(H4,18,19,21,24,25)
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 4.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to mouse liver folyl polyglutamate synthetase.

J Med Chem 27: 600-4 (1984)


BindingDB Entry DOI: 10.7270/Q2PR7V0D
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50023710
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCS(O)(=O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C18H20N8O6S/c19-14-13-15(26-18(20)25-14)22-8-11(23-13)7-21-10-3-1-9(2-4-10)16(27)24-12(17(28)29)5-6-33(30,31)32/h1-4,8,12,21H,5-7H2,(H,24,27)(H,28,29)(H,30,31,32)(H4,19,20,22,25,26)
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 5.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to mouse liver folyl polyglutamate synthetase.

J Med Chem 27: 600-4 (1984)


BindingDB Entry DOI: 10.7270/Q2PR7V0D
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50028118
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C18H20N8O6S/c1-26(7-10-6-21-15-13(22-10)14(19)24-18(20)25-15)11-4-2-9(3-5-11)16(27)23-12(17(28)29)8-33(30,31)32/h2-6,12H,7-8H2,1H3,(H,23,27)(H,28,29)(H,30,31,32)(H4,19,20,21,24,25)
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 1.36E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to mouse liver folyl polyglutamate synthetase.

J Med Chem 27: 600-4 (1984)


BindingDB Entry DOI: 10.7270/Q2PR7V0D
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50023711
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C19H22N8O6S/c1-27(9-11-8-22-16-14(23-11)15(20)25-19(21)26-16)12-4-2-10(3-5-12)17(28)24-13(18(29)30)6-7-34(31,32)33/h2-5,8,13H,6-7,9H2,1H3,(H,24,28)(H,29,30)(H,31,32,33)(H4,20,21,22,25,26)
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 1.98E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to mouse liver folyl polyglutamate synthetase.

J Med Chem 27: 600-4 (1984)


BindingDB Entry DOI: 10.7270/Q2PR7V0D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%