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PubMed code 1635061

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


(Mus musculus)		BDBM50006906
PNG
(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-am...)
Show SMILES Nc1nc2ccc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C21H21N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)
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 67n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Folyl polyglutamate synthetase (FPGS)

J Med Chem 35: 2626-30 (1992)


BindingDB Entry DOI: 10.7270/Q2DV1HVR
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50006907
PNG
(2-{4-[(4-Oxo-3,4-dihydro-quinazolin-6-ylmethyl)-am...)
Show SMILES OC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc[nH]c(=O)c3c2)cc1)C(O)=O
Show InChI InChI=1S/C21H20N4O6/c26-18(27)8-7-17(21(30)31)25-19(28)13-2-4-14(5-3-13)22-10-12-1-6-16-15(9-12)20(29)24-11-23-16/h1-6,9,11,17,22H,7-8,10H2,(H,25,28)(H,26,27)(H,30,31)(H,23,24,29)
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 2.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Folyl polyglutamate synthetase (FPGS)

J Med Chem 35: 2626-30 (1992)


BindingDB Entry DOI: 10.7270/Q2DV1HVR
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50006905
PNG
(2-{4-[(4-Oxo-3,4-dihydro-benzo[d][1,2,3]triazin-6-...)
Show SMILES OC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nn[nH]c(=O)c3c2)cc1)C(O)=O
Show InChI InChI=1S/C20H19N5O6/c26-17(27)8-7-16(20(30)31)22-18(28)12-2-4-13(5-3-12)21-10-11-1-6-15-14(9-11)19(29)24-25-23-15/h1-6,9,16,21H,7-8,10H2,(H,22,28)(H,26,27)(H,30,31)(H,23,24,29)
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 2.30E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Folyl polyglutamate synthetase (FPGS)

J Med Chem 35: 2626-30 (1992)


BindingDB Entry DOI: 10.7270/Q2DV1HVR
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)		BDBM50006905
PNG
(2-{4-[(4-Oxo-3,4-dihydro-benzo[d][1,2,3]triazin-6-...)
Show SMILES OC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nn[nH]c(=O)c3c2)cc1)C(O)=O
Show InChI InChI=1S/C20H19N5O6/c26-17(27)8-7-16(20(30)31)22-18(28)12-2-4-13(5-3-12)21-10-11-1-6-15-14(9-11)19(29)24-25-23-15/h1-6,9,16,21H,7-8,10H2,(H,22,28)(H,26,27)(H,30,31)(H,23,24,29)
PDB
MMDB

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 2.80E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of recombinant mouse thymidylate synthase, competitive with 5,10-methylenetetrahydrofolate as variable substra...

J Med Chem 35: 2626-30 (1992)


BindingDB Entry DOI: 10.7270/Q2DV1HVR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%