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Compile Data Set for Download or QSAR

Found 52 hits of ki data for polymerid = 50001258,50002124   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50018235
PNG
(5-Amino-2-{4-[(2,4-diamino-5-chloro-quinazolin-6-y...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H24ClN7O3/c22-17-12(5-8-14-16(17)18(24)29-21(25)28-14)10-26-13-6-3-11(4-7-13)19(30)27-15(20(31)32)2-1-9-23/h3-8,15,26H,1-2,9-10,23H2,(H,27,30)(H,31,32)(H4,24,25,28,29)
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 1.70n/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)


BindingDB Entry DOI: 10.7270/Q22806MJ
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(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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 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)


BindingDB Entry DOI: 10.7270/Q22806MJ
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(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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 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)


BindingDB Entry DOI: 10.7270/Q26M35S6
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50003467
PNG
(5-Amino-2-{4-[(2-amino-4-oxo-5-trifluoromethyl-3,4...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)[nH]c(=O)c3c2C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C22H23F3N6O4/c23-22(24,25)17-12(5-8-14-16(17)19(33)31-21(27)30-14)10-28-13-6-3-11(4-7-13)18(32)29-15(20(34)35)2-1-9-26/h3-8,15,28H,1-2,9-10,26H2,(H,29,32)(H,34,35)(H3,27,30,31,33)
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 8.80n/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)


BindingDB Entry DOI: 10.7270/Q26M35S6
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50003471
PNG
(5-Amino-2-{4-[(2-amino-4-oxo-5-trifluoromethyl-3,4...)
Show SMILES NCCCC(NC(=O)c1ccc(CNc2ccc3nc(N)[nH]c(=O)c3c2C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C22H23F3N6O4/c23-22(24,25)17-14(8-7-13-16(17)19(33)31-21(27)30-13)28-10-11-3-5-12(6-4-11)18(32)29-15(20(34)35)2-1-9-26/h3-8,15,28H,1-2,9-10,26H2,(H,29,32)(H,34,35)(H3,27,30,31,33)
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 11n/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)


BindingDB Entry DOI: 10.7270/Q26M35S6
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50002471
PNG
(5-Amino-2-{4-[(2-amino-4-oxo-2,3,4,4a,5,6,7,8-octa...)
Show SMILES NCCCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3C2)cc1)C(O)=O
Show InChI InChI=1S/C20H27N7O4/c21-7-1-2-15(19(30)31)25-17(28)12-3-5-13(6-4-12)23-9-11-8-14-16(24-10-11)26-20(22)27-18(14)29/h3-6,11,15,23H,1-2,7-10,21H2,(H,25,28)(H,30,31)(H4,22,24,26,27,29)
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 30n/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
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50002471
PNG
(5-Amino-2-{4-[(2-amino-4-oxo-2,3,4,4a,5,6,7,8-octa...)
Show SMILES NCCCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3C2)cc1)C(O)=O
Show InChI InChI=1S/C20H27N7O4/c21-7-1-2-15(19(30)31)25-17(28)12-3-5-13(6-4-12)23-9-11-8-14-16(24-10-11)26-20(22)27-18(14)29/h3-6,11,15,23H,1-2,7-10,21H2,(H,25,28)(H,30,31)(H4,22,24,26,27,29)
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 64n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Potent inhibitor of Folyl-polyglutamate synthase obtained from porcine

J Med Chem 35: 2002-6 (1992)


BindingDB Entry DOI: 10.7270/Q2X9297Q
More data for this
Ligand-Target Pair
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)		BDBM50011885
PNG
(5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-am...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(O)=O
Show InChI InChI=1S/C19H23N9O3/c20-7-1-2-13(18(30)31)26-17(29)10-3-5-11(6-4-10)23-8-12-9-24-16-14(25-12)15(21)27-19(22)28-16/h3-6,9,13,23H,1-2,7-8,20H2,(H,26,29)(H,30,31)(H4,21,22,24,27,28)
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 150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver

J Med Chem 29: 655-60 (1986)


BindingDB Entry DOI: 10.7270/Q2RR1ZTR
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50003470
PNG
(5-Amino-2-{4-[(5-fluoro-2-methyl-4-oxo-3,4-dihydro...)
Show SMILES Cc1nc2ccc(NCc3ccc(cc3)C(=O)NC(CCCN)C(O)=O)c(F)c2c(=O)[nH]1
Show InChI InChI=1S/C22H24FN5O4/c1-12-26-15-8-9-16(19(23)18(15)21(30)27-12)25-11-13-4-6-14(7-5-13)20(29)28-17(22(31)32)3-2-10-24/h4-9,17,25H,2-3,10-11,24H2,1H3,(H,28,29)(H,31,32)(H,26,27,30)
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 150n/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)


BindingDB Entry DOI: 10.7270/Q26M35S6
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(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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 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
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50051747
PNG
(5-Amino-2-{4-[(2-amino-4-hydroxy-5,6,7,8-tetrahydr...)
Show SMILES NCCCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3N2)cc1)C(O)=O
Show InChI InChI=1S/C19H26N8O4/c20-7-1-2-13(18(30)31)25-16(28)10-3-5-11(6-4-10)22-8-12-9-23-15-14(24-12)17(29)27-19(21)26-15/h3-6,12-13,22,24H,1-2,7-9,20H2,(H,25,28)(H,30,31)(H4,21,23,26,27,29)
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 200n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian Folyl-polyglutamate synthase

J Med Chem 39: 2536-40 (1996)


Article DOI: 10.1021/jm960046w
BindingDB Entry DOI: 10.7270/Q2000158
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50020107
PNG
(5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-am...)
Show SMILES NCCC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(O)=O
Show InChI InChI=1S/C19H23N9O3/c20-7-1-2-13(18(30)31)26-17(29)10-3-5-11(6-4-10)23-8-12-9-24-16-14(25-12)15(21)27-19(22)28-16/h3-6,9,13,23H,1-2,7-8,20H2,(H,26,29)(H,30,31)(H4,21,22,24,27,28)/t13-/m0/s1
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 300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against purified Folyl-polyglutamate synthase obtained from human

J Med Chem 31: 1338-44 (1988)


BindingDB Entry DOI: 10.7270/Q22J6CFD
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50020107
PNG
(5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-am...)
Show SMILES NCCC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(O)=O
Show InChI InChI=1S/C19H23N9O3/c20-7-1-2-13(18(30)31)26-17(29)10-3-5-11(6-4-10)23-8-12-9-24-16-14(25-12)15(21)27-19(22)28-16/h3-6,9,13,23H,1-2,7-8,20H2,(H,26,29)(H,30,31)(H4,21,22,24,27,28)/t13-/m0/s1
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 300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against purified Folyl-polyglutamate synthase obtained from mouse

J Med Chem 31: 1338-44 (1988)


BindingDB Entry DOI: 10.7270/Q22J6CFD
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50018236
PNG
(5-Amino-2-[4-(4-oxo-3,4-dihydro-quinazolin-6-ylmet...)
Show SMILES NCCCC(NC(=O)c1ccc(SCc2ccc3nc[nH]c(=O)c3c2)cc1)C(O)=O
Show InChI InChI=1S/C21H22N4O4S/c22-9-1-2-18(21(28)29)25-19(26)14-4-6-15(7-5-14)30-11-13-3-8-17-16(10-13)20(27)24-12-23-17/h3-8,10,12,18H,1-2,9,11,22H2,(H,25,26)(H,28,29)(H,23,24,27)
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 420n/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)


BindingDB Entry DOI: 10.7270/Q22806MJ
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50003468
PNG
(5-Amino-2-{4-[(2-amino-5-chloro-4-oxo-3,4-dihydro-...)
Show SMILES NCCCC(NC(=O)c1ccc(CNc2ccc3nc(N)[nH]c(=O)c3c2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H23ClN6O4/c22-17-14(8-7-13-16(17)19(30)28-21(24)27-13)25-10-11-3-5-12(6-4-11)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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 500n/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)


BindingDB Entry DOI: 10.7270/Q26M35S6
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50003469
PNG
(5-Amino-2-{4-[(2-amino-5-fluoro-4-oxo-3,4-dihydro-...)
Show SMILES NCCCC(NC(=O)c1ccc(CNc2ccc3nc(N)[nH]c(=O)c3c2F)cc1)C(O)=O
Show InChI InChI=1S/C21H23FN6O4/c22-17-14(8-7-13-16(17)19(30)28-21(24)27-13)25-10-11-3-5-12(6-4-11)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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 900n/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)


BindingDB Entry DOI: 10.7270/Q26M35S6
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50018232
PNG
(5-Amino-2-[4-(4-oxo-3,4-dihydro-quinazolin-6-ylmet...)
Show SMILES NCCCC(NC(=O)c1ccc(OCc2ccc3nc[nH]c(=O)c3c2)cc1)C(O)=O
Show InChI InChI=1S/C21H22N4O5/c22-9-1-2-18(21(28)29)25-19(26)14-4-6-15(7-5-14)30-11-13-3-8-17-16(10-13)20(27)24-12-23-17/h3-8,10,12,18H,1-2,9,11,22H2,(H,25,26)(H,28,29)(H,23,24,27)
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 1.20E+3n/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)


BindingDB Entry DOI: 10.7270/Q22806MJ
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50020101
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCOP(O)(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C18H21N8O7P/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)5-6-33-34(30,31)32/h1-4,8,12,21H,5-7H2,(H,24,27)(H,28,29)(H2,30,31,32)(H4,19,20,22,25,26)
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 1.90E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against purified Folyl-polyglutamate synthase obtained from human

J Med Chem 31: 1338-44 (1988)


BindingDB Entry DOI: 10.7270/Q22J6CFD
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
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50018234
PNG
(5-Amino-2-[4-(2-amino-4-oxo-3,4-dihydro-quinazolin...)
Show SMILES NCCCC(NC(=O)c1ccc(SCc2ccc3nc(N)[nH]c(=O)c3c2)cc1)C(O)=O
Show InChI InChI=1S/C21H23N5O4S/c22-9-1-2-17(20(29)30)24-18(27)13-4-6-14(7-5-13)31-11-12-3-8-16-15(10-12)19(28)26-21(23)25-16/h3-8,10,17H,1-2,9,11,22H2,(H,24,27)(H,29,30)(H3,23,25,26,28)
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 2.80E+3n/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)


BindingDB Entry DOI: 10.7270/Q22806MJ
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50005868
PNG
(2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[...)
Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)NC(CCP(O)(O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C19H25N6O7P/c20-19-24-15-13(17(27)25-19)7-10(9-22-15)8-21-12-3-1-11(2-4-12)16(26)23-14(18(28)29)5-6-33(30,31)32/h1-4,10,14,21H,5-9H2,(H,23,26)(H,28,29)(H2,30,31,32)(H4,20,22,24,25,27)
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 3.20E+3n/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
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50020102
PNG
(5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCCN)C(O)=O
Show InChI InChI=1S/C20H25N9O3/c1-29(10-12-9-24-17-15(25-12)16(22)27-20(23)28-17)13-6-4-11(5-7-13)18(30)26-14(19(31)32)3-2-8-21/h4-7,9,14H,2-3,8,10,21H2,1H3,(H,26,30)(H,31,32)(H4,22,23,24,27,28)/t14-/m0/s1
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 4.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against purified Folyl-polyglutamate synthase obtained from rat

J Med Chem 31: 1338-44 (1988)


BindingDB Entry DOI: 10.7270/Q22J6CFD
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50020102
PNG
(5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCCN)C(O)=O
Show InChI InChI=1S/C20H25N9O3/c1-29(10-12-9-24-17-15(25-12)16(22)27-20(23)28-17)13-6-4-11(5-7-13)18(30)26-14(19(31)32)3-2-8-21/h4-7,9,14H,2-3,8,10,21H2,1H3,(H,26,30)(H,31,32)(H4,22,23,24,27,28)/t14-/m0/s1
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 4.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against purified Folyl-polyglutamate synthase obtained from human

J Med Chem 31: 1338-44 (1988)


BindingDB Entry DOI: 10.7270/Q22J6CFD
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50005859
PNG
(5-Amino-2-{4-[(2,4-diamino-pyrido[3,2-d]pyrimidin-...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3n2)cc1)C(O)=O
Show InChI InChI=1S/C20H24N8O3/c21-9-1-2-15(19(30)31)26-18(29)11-3-5-12(6-4-11)24-10-13-7-8-14-16(25-13)17(22)28-20(23)27-14/h3-8,15,24H,1-2,9-10,21H2,(H,26,29)(H,30,31)(H4,22,23,27,28)
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 5.70E+3n/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
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50018233
PNG
(5-Amino-2-[4-(2-amino-4-oxo-3,4-dihydro-quinazolin...)
Show SMILES NCCCC(NC(=O)c1ccc(OCc2ccc3nc(N)[nH]c(=O)c3c2)cc1)C(O)=O
Show InChI InChI=1S/C21H23N5O5/c22-9-1-2-17(20(29)30)24-18(27)13-4-6-14(7-5-13)31-11-12-3-8-16-15(10-12)19(28)26-21(23)25-16/h3-8,10,17H,1-2,9,11,22H2,(H,24,27)(H,29,30)(H3,23,25,26,28)
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 5.90E+3n/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)


BindingDB Entry DOI: 10.7270/Q22806MJ
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50002473
PNG
(5-Amino-2-{4-[(2-amino-4-oxo-3,4-dihydro-pteridin-...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(O)=O
Show InChI InChI=1S/C19H22N8O4/c20-7-1-2-13(18(30)31)25-16(28)10-3-5-11(6-4-10)22-8-12-9-23-15-14(24-12)17(29)27-19(21)26-15/h3-6,9,13,22H,1-2,7-8,20H2,(H,25,28)(H,30,31)(H3,21,23,26,27,29)
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 5.90E+3n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity of the compound for hog liver Folyl-polyglutamate synthase was evaluated

J Med Chem 32: 1559-65 (1989)


BindingDB Entry DOI: 10.7270/Q22806MJ
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50002473
PNG
(5-Amino-2-{4-[(2-amino-4-oxo-3,4-dihydro-pteridin-...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(O)=O
Show InChI InChI=1S/C19H22N8O4/c20-7-1-2-13(18(30)31)25-16(28)10-3-5-11(6-4-10)22-8-12-9-23-15-14(24-12)17(29)27-19(21)26-15/h3-6,9,13,22H,1-2,7-8,20H2,(H,25,28)(H,30,31)(H3,21,23,26,27,29)
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 5.90E+3n/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)


BindingDB Entry DOI: 10.7270/Q26M35S6
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50002473
PNG
(5-Amino-2-{4-[(2-amino-4-oxo-3,4-dihydro-pteridin-...)
Show SMILES NCCCC(NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(O)=O
Show InChI InChI=1S/C19H22N8O4/c20-7-1-2-13(18(30)31)25-16(28)10-3-5-11(6-4-10)22-8-12-9-23-15-14(24-12)17(29)27-19(21)26-15/h3-6,9,13,22H,1-2,7-8,20H2,(H,25,28)(H,30,31)(H3,21,23,26,27,29)
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 5.90E+3n/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 35: 2002-6 (1992)


BindingDB Entry DOI: 10.7270/Q2X9297Q
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50020108
PNG
(5-Amino-2-{4-[(2-amino-4-hydroxy-pteridin-6-ylmeth...)
Show SMILES NCCC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(O)=O
Show InChI InChI=1S/C19H22N8O4/c20-7-1-2-13(18(30)31)25-16(28)10-3-5-11(6-4-10)22-8-12-9-23-15-14(24-12)17(29)27-19(21)26-15/h3-6,9,13,22H,1-2,7-8,20H2,(H,25,28)(H,30,31)(H3,21,23,26,27,29)/t13-/m0/s1
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 6.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against purified Folyl-polyglutamate synthase obtained from hog

J Med Chem 31: 1338-44 (1988)


BindingDB Entry DOI: 10.7270/Q22J6CFD
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(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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 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)


BindingDB Entry DOI: 10.7270/Q2X9297Q
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50020101
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCOP(O)(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C18H21N8O7P/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)5-6-33-34(30,31)32/h1-4,8,12,21H,5-7H2,(H,24,27)(H,28,29)(H2,30,31,32)(H4,19,20,22,25,26)
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 8.40E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against purified Folyl-polyglutamate synthase obtained from mouse

J Med Chem 31: 1338-44 (1988)


BindingDB Entry DOI: 10.7270/Q22J6CFD
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50005867
PNG
(2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyri...)
Show SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NC(CCP(O)(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C19H21N6O7P/c20-19-24-15-13(17(27)25-19)7-10(9-22-15)8-21-12-3-1-11(2-4-12)16(26)23-14(18(28)29)5-6-33(30,31)32/h1-4,7,9,14,21H,5-6,8H2,(H,23,26)(H,28,29)(H2,30,31,32)(H3,20,22,24,25,27)
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 9.00E+3n/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
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50020109
PNG
(2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pteridi...)
Show SMILES NC(=O)CC[C@H](NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3N2)cc1)C(O)=O
Show InChI InChI=1S/C19H24N8O5/c20-13(28)6-5-12(18(31)32)25-16(29)9-1-3-10(4-2-9)22-7-11-8-23-15-14(24-11)17(30)27-19(21)26-15/h1-4,11-12,22,24H,5-8H2,(H2,20,28)(H,25,29)(H,31,32)(H4,21,23,26,27,30)/t11?,12-/m0/s1
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 1.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against purified Folyl-polyglutamate synthase obtained from hog

J Med Chem 31: 1338-44 (1988)


BindingDB Entry DOI: 10.7270/Q22J6CFD
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50367055
PNG
(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 |r|
Show InChI InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
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 1.76E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver

J Med Chem 29: 655-60 (1986)


BindingDB Entry DOI: 10.7270/Q2RR1ZTR
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50020102
PNG
(5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCCN)C(O)=O
Show InChI InChI=1S/C20H25N9O3/c1-29(10-12-9-24-17-15(25-12)16(22)27-20(23)28-17)13-6-4-11(5-7-13)18(30)26-14(19(31)32)3-2-8-21/h4-7,9,14H,2-3,8,10,21H2,1H3,(H,26,30)(H,31,32)(H4,22,23,24,27,28)/t14-/m0/s1
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 2.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against purified Folyl-polyglutamate synthase obtained from mouse liver

J Med Chem 31: 1338-44 (1988)


BindingDB Entry DOI: 10.7270/Q22J6CFD
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50011886
PNG
(5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCN)C(O)=O
Show InChI InChI=1S/C20H25N9O3/c1-29(10-12-9-24-17-15(25-12)16(22)27-20(23)28-17)13-6-4-11(5-7-13)18(30)26-14(19(31)32)3-2-8-21/h4-7,9,14H,2-3,8,10,21H2,1H3,(H,26,30)(H,31,32)(H4,22,23,24,27,28)
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 2.04E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver

J Med Chem 29: 655-60 (1986)


BindingDB Entry DOI: 10.7270/Q2RR1ZTR
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50005865
PNG
(2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[...)
Show SMILES Nc1nc2NCC(CNc3ccc(cc3)C(=O)NC(CCS(O)(=O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O7S/c20-19-24-15-13(17(27)25-19)7-10(9-22-15)8-21-12-3-1-11(2-4-12)16(26)23-14(18(28)29)5-6-33(30,31)32/h1-4,10,14,21H,5-9H2,(H,23,26)(H,28,29)(H,30,31,32)(H4,20,22,24,25,27)
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 2.20E+4n/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
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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 4.50E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Folyl-polyglutamate synthase from mouse liver

J Med Chem 31: 1326-31 (1988)


BindingDB Entry DOI: 10.7270/Q21N8049
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))		BDBM50080449
PNG
((S)-5-Amino-2-{5-[(2-amino-4-oxo-3,4-dihydro-pyrid...)
Show SMILES NCCC[C@H](N1Cc2cc(NCc3cnc4nc(N)[nH]c(=O)c4c3)ccc2C1=O)C(O)=O
Show InChI InChI=1S/C21H23N7O4/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/h3-4,6-7,9,16,24H,1-2,5,8,10,22H2,(H,31,32)(H3,23,25,26,27,29)/t16-/m0/s1
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 1.10E+5n/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
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50005860
PNG
(2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[...)
Show SMILES CCOP(O)(=O)CCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3C2)cc1)C(O)=O
Show InChI InChI=1S/C21H29N6O7P/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/h3-6,12,16,23H,2,7-11H2,1H3,(H,25,28)(H,30,31)(H,32,33)(H4,22,24,26,27,29)
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 1.15E+5n/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
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


(Mus musculus)		BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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 1.66E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver

J Med Chem 29: 655-60 (1986)


BindingDB Entry DOI: 10.7270/Q2RR1ZTR
More data for this
Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial


(Homo sapiens (Human))		BDBM50023709
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C19H23N8O6P/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)(H2,31,32,33)(H4,20,21,22,25,26)
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 1.85E+5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Folyl-polyglutamate synthase from mouse liver

J Med Chem 31: 1326-31 (1988)


BindingDB Entry DOI: 10.7270/Q21N8049
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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 1.88E+5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Folyl-polyglutamate synthase from mouse liver

J Med Chem 31: 1326-31 (1988)


BindingDB Entry DOI: 10.7270/Q21N8049
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
Folylpolyglutamate synthase, mitochondrial


(Mus musculus)		BDBM50020099
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCCCC(O)=O)C(O)=O
Show InChI InChI=1S/C24H30N8O5/c1-32(13-15-12-27-21-19(28-15)20(25)30-24(26)31-21)16-10-8-14(9-11-16)22(35)29-17(23(36)37)6-4-2-3-5-7-18(33)34/h8-12,17H,2-7,13H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H4,25,26,27,30,31)
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 3.20E+5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against purified Folyl-polyglutamate synthase from mouse liver

J Med Chem 31: 1338-44 (1988)


BindingDB Entry DOI: 10.7270/Q22J6CFD
More data for this
Ligand-Target Pair
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