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Found 1228 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase'   
Target
(Institution)
LigandTarget
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
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50016325
PNG
(2-{4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmeth...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C20H21N7O5/c21-16-13-7-10(9-24-17(13)27-20(22)26-16)8-23-12-3-1-11(2-4-12)18(30)25-14(19(31)32)5-6-15(28)29/h1-4,7,9,14,23H,5-6,8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,24,26,27)
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n/an/a 0.00210n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition against Toxoplasma gondii Dihydrofolate reductase


J Med Chem 36: 4161-71 (1994)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18229
PNG
(5-[3-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCC(O)=O
Show InChI InChI=1S/C21H21N5O3/c1-12-15(11-24-20-18(12)19(22)25-21(23)26-20)10-14-9-13(7-8-16(14)29-2)5-3-4-6-17(27)28/h7-9,11H,4,6,10H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
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n/an/a 0.460n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50029766
PNG
(2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYL...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24)
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n/an/a 0.580n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase


J Med Chem 36: 3437-43 (1993)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50029766
PNG
(2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYL...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24)
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n/an/a 0.580n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049611
PNG
(6-[(Methyl-phenyl-amino)-methyl]-pyrido[3,2-d]pyri...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccccc1
Show InChI InChI=1S/C15H16N6/c1-21(11-5-3-2-4-6-11)9-10-7-8-12-13(18-10)14(16)20-15(17)19-12/h2-8H,9H2,1H3,(H4,16,17,19,20)
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n/an/a 0.840n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50029766
PNG
(2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYL...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24)
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n/an/a 0.850n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase


J Med Chem 38: 2615-20 (1995)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50029766
PNG
(2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYL...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24)
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n/an/a 0.850n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii


J Med Chem 38: 1778-85 (1995)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50029766
PNG
(2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYL...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24)
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n/an/a 0.850n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dihydrofolate reductase from Toxoplasma gondii (tg)


J Med Chem 40: 470-8 (1997)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50029766
PNG
(2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYL...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24)
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n/an/a 0.850n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Toxoplasma gondii Dihydrofolate reductase


J Med Chem 40: 1930-6 (1997)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50067865
PNG
(CHEMBL337603 | N*6*-(3,4-Dimethoxy-phenyl)-N*6*-me...)
Show SMILES COc1ccc(cc1OC)N(C)c1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O2/c1-22(9-4-6-11(23-2)12(8-9)24-3)13-7-5-10-14(20-13)15(17)21-16(18)19-10/h4-8H,1-3H3,(H4,17,18,19,21)
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n/an/a 0.880n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Toxoplasma gondii


J Med Chem 41: 4533-41 (1998)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
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
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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n/an/a 1.40n/an/an/an/an/an/a



University

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii was evaluated using 90 microM dihydrofolic acid as substrate


J Med Chem 40: 3040-8 (1997)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18497
PNG
(6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)but-1-y...)
Show SMILES COc1cc(cc(OC)c1OC)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C18H22N4O3/c1-10(6-7-13-11(2)21-18(20)22-17(13)19)12-8-14(23-3)16(25-5)15(9-12)24-4/h8-10H,1-5H3,(H4,19,20,21,22)/t10-/m0/s1
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n/an/a 1.40n/an/an/an/a7.025



Dartmouth College



Assay Description
Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa...


J Med Chem 50: 940-50 (2007)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50078470
PNG
(6-{[(4-Chloro-phenyl)-methyl-amino]-methyl}-5-meth...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN6/c1-9-10(8-23(2)12-5-3-11(17)4-6-12)7-20-15-13(9)14(18)21-16(19)22-15/h3-7H,8H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 1.70n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50059944
PNG
(4-{[4-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-2-nitro...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C(O)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H20N6O4/c1-2-14-17(18(21)25-20(22)24-14)13-7-8-15(16(9-13)26(29)30)23-10-11-3-5-12(6-4-11)19(27)28/h3-9,23H,2,10H2,1H3,(H,27,28)(H4,21,22,24,25)
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n/an/a 1.80n/an/an/an/an/an/a



University

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii was evaluated using 90 microM dihydrofolic acid as substrate


J Med Chem 40: 3040-8 (1997)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18225
PNG
(2,4-diamino-5-deazapteridine, 4 | 4-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C20H23N5O4/c1-11-13(10-23-19-17(11)18(21)24-20(22)25-19)8-12-9-14(5-6-15(12)28-2)29-7-3-4-16(26)27/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,26,27)(H4,21,22,23,24,25)
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n/an/a 1.90n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18227
PNG
(2,4-diamino-5-deazapteridine, 6 | 6-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C22H27N5O4/c1-13-15(12-25-21-19(13)20(23)26-22(24)27-21)10-14-11-16(7-8-17(14)30-2)31-9-5-3-4-6-18(28)29/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
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n/an/a 2n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM31777
PNG
(thieno[2,3-d]pyrimidine deriv., 2)
Show SMILES CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20N4O6S2/c1-2-12-15(14-17(28)23-20(21)24-18(14)32-12)31-10-5-3-9(4-6-10)16(27)22-11(19(29)30)7-8-13(25)26/h3-6,11H,2,7-8H2,1H3,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t11-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Duquesne University



Assay Description
DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...


J Med Chem 52: 4892-902 (2009)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50067861
PNG
(CHEMBL140940 | N*6*-Methyl-N*6*-phenyl-pyrido[3,2-...)
Show SMILES CN(c1ccccc1)c1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C14H14N6/c1-20(9-5-3-2-4-6-9)11-8-7-10-12(18-11)13(15)19-14(16)17-10/h2-8H,1H3,(H4,15,16,17,19)
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n/an/a 2.20n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Toxoplasma gondii


J Med Chem 41: 4533-41 (1998)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18226
PNG
(2,4-diamino-5-deazapteridine, 5 | 5-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C21H25N5O4/c1-12-14(11-24-20-18(12)19(22)25-21(23)26-20)9-13-10-15(6-7-16(13)29-2)30-8-4-3-5-17(27)28/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
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n/an/a 2.30n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18228
PNG
(4-[2-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(OCCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C20H23N5O4/c1-11-13(10-23-19-17(11)18(21)24-20(22)25-19)8-12-9-14(28-2)5-6-15(12)29-7-3-4-16(26)27/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,26,27)(H4,21,22,23,24,25)
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n/an/a 2.30n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034942
PNG
(6-{[Ethyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl}...)
Show SMILES CCN(Cc1cnc2nc(N)nc(N)c2c1C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H26N6O3/c1-6-26(13-7-14(27-3)17(29-5)15(8-13)28-4)10-12-9-23-19-16(11(12)2)18(21)24-20(22)25-19/h7-9H,6,10H2,1-5H3,(H4,21,22,23,24,25)
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n/an/a 2.70n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii


J Med Chem 38: 1778-85 (1995)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034942
PNG
(6-{[Ethyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl}...)
Show SMILES CCN(Cc1cnc2nc(N)nc(N)c2c1C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H26N6O3/c1-6-26(13-7-14(27-3)17(29-5)15(8-13)28-4)10-12-9-23-19-16(11(12)2)18(21)24-20(22)25-19/h7-9H,6,10H2,1-5H3,(H4,21,22,23,24,25)
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n/an/a 2.70n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50029772
PNG
(5-Methyl-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C18H22N6O3/c1-9-10(8-22-17-14(9)16(19)23-18(20)24-17)7-21-11-5-12(25-2)15(27-4)13(6-11)26-3/h5-6,8,21H,7H2,1-4H3,(H4,19,20,22,23,24)
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n/an/a 2.70n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034934
PNG
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1OC
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-11-4-5-12(24-2)13(6-11)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 2.70n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034940
PNG
(6-{[(3,4-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...)
Show SMILES COc1ccc(cc1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)12-5-6-13(25-3)14(7-12)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 2.90n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50059948
PNG
(4-({[4-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-2-nitr...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H22N6O4/c1-3-15-18(19(22)25-21(23)24-15)14-8-9-16(17(10-14)27(30)31)26(2)11-12-4-6-13(7-5-12)20(28)29/h4-10H,3,11H2,1-2H3,(H,28,29)(H4,22,23,24,25)
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n/an/a 3.10n/an/an/an/an/an/a



University

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii was evaluated using 90 microM dihydrofolic acid as substrate


J Med Chem 40: 3040-8 (1997)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18231
PNG
(2,4-diamino-5-deazapteridine, 2 | 7-[3-({2,4-diami...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCCC(O)=O
Show InChI InChI=1S/C23H25N5O3/c1-14-17(13-26-22-20(14)21(24)27-23(25)28-22)12-16-11-15(9-10-18(16)31-2)7-5-3-4-6-8-19(29)30/h9-11,13H,3-4,6,8,12H2,1-2H3,(H,29,30)(H4,24,25,26,27,28)
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n/an/a 3.20n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18238
PNG
(2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...)
Show SMILES CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C22H27N5O4/c1-4-30-18(28)6-5-9-31-16-7-8-17(29-3)14(11-16)10-15-12-25-21-19(13(15)2)20(23)26-22(24)27-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H4,23,24,25,26,27)
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n/an/a 3.40n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034933
PNG
(6-[(3,5-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-11-4-12(24-2)6-13(5-11)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 3.5n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50253578
PNG
(2,4-Diamino-6-[N-(benzyl)-N-ethylamino]quinazoline...)
Show SMILES CCN(Cc1ccccc1)c1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C17H19N5/c1-2-22(11-12-6-4-3-5-7-12)13-8-9-15-14(10-13)16(18)21-17(19)20-15/h3-10H,2,11H2,1H3,(H4,18,19,20,21)
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n/an/a 3.60n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase


J Med Chem 51: 6195-200 (2008)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50059953
PNG
(4-{[4-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-2-nitro...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C(N)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H21N7O3/c1-2-14-17(18(21)26-20(23)25-14)13-7-8-15(16(9-13)27(29)30)24-10-11-3-5-12(6-4-11)19(22)28/h3-9,24H,2,10H2,1H3,(H2,22,28)(H4,21,23,25,26)
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n/an/a 3.70n/an/an/an/an/an/a



University

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii was evaluated using 90 microM dihydrofolic acid as substrate


J Med Chem 40: 3040-8 (1997)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50253581
PNG
(2,4-Diamino-6-[N-(2,5-dimethoxybenzyl)-N-ethylamin...)
Show SMILES CCN(Cc1cc(OC)ccc1OC)c1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C19H23N5O2/c1-4-24(11-12-9-14(25-2)6-8-17(12)26-3)13-5-7-16-15(10-13)18(20)23-19(21)22-16/h5-10H,4,11H2,1-3H3,(H4,20,21,22,23)
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n/an/a 3.70n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase


J Med Chem 51: 6195-200 (2008)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50066496
PNG
(CHEMBL115804 | N*6*-(2,4-Dimethoxy-benzyl)-N*6*-me...)
Show SMILES COc1ccc(CN(C)c2ccc3nc(N)nc(N)c3c2)c(OC)c1
Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-4-6-13(24-2)9-16(11)25-3)12-5-7-15-14(8-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22)
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n/an/a 3.90n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)


J Med Chem 41: 3426-34 (1998)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50066490
PNG
(2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLA...)
Show SMILES COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-8-13(24-2)5-7-16(11)25-3)12-4-6-15-14(9-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22)
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n/an/a 3.90n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)


J Med Chem 41: 3426-34 (1998)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50066490
PNG
(2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLA...)
Show SMILES COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-8-13(24-2)5-7-16(11)25-3)12-4-6-15-14(9-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22)
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n/an/a 3.90n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)


J Med Chem 41: 3426-34 (1998)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034930
PNG
(6-{[(3,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...)
Show SMILES COc1cc(OC)cc(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)12-5-13(25-3)7-14(6-12)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18243
PNG
(6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[...)
Show SMILES COc1ccc(I)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(17)3-4-12(9)23-2)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 4.10n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50066497
PNG
(CHEMBL114354 | N*6*-Methyl-N*6*-(5,6,7,8-tetrahydr...)
Show SMILES CN(Cc1cccc2CCCCc12)c1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C20H23N5/c1-25(12-14-7-4-6-13-5-2-3-8-16(13)14)15-9-10-18-17(11-15)19(21)24-20(22)23-18/h4,6-7,9-11H,2-3,5,8,12H2,1H3,(H4,21,22,23,24)
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n/an/a 4.10n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)


J Med Chem 41: 3426-34 (1998)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18232
PNG
(5-[2-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(C#CCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C21H21N5O3/c1-12-15(11-24-20-18(12)19(22)25-21(23)26-20)9-14-10-16(29-2)8-7-13(14)5-3-4-6-17(27)28/h7-8,10-11H,4,6,9H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
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n/an/a 4.10n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 4.30n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50059951
PNG
(4-{[4-(2,4-Diamino-6-ethyl-pyrimidin-5-yl)-2-nitro...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C(=O)NC)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H23N7O3/c1-3-15-18(19(22)27-21(23)26-15)14-8-9-16(17(10-14)28(30)31)25-11-12-4-6-13(7-5-12)20(29)24-2/h4-10,25H,3,11H2,1-2H3,(H,24,29)(H4,22,23,26,27)
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n/an/a 4.30n/an/an/an/an/an/a



University

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii was evaluated using 90 microM dihydrofolic acid as substrate


J Med Chem 40: 3040-8 (1997)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18230
PNG
(2,4-diamino-5-deazapteridine, 10 | 6-[3-({2,4-diam...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCC(O)=O
Show InChI InChI=1S/C22H23N5O3/c1-13-16(12-25-21-19(13)20(23)26-22(24)27-21)11-15-10-14(8-9-17(15)30-2)6-4-3-5-7-18(28)29/h8-10,12H,3,5,7,11H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
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n/an/a 4.30n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


J Med Chem 48: 4420-31 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 4.30n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory concentration against Toxoplasma gondii dihydrofolate reductase


Bioorg Med Chem Lett 14: 1811-5 (2004)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50031867
PNG
(6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23)
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n/an/a 4.70n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50066495
PNG
(CHEMBL113816 | N*6*-(3,5-Dimethoxy-benzyl)-N*6*-me...)
Show SMILES COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2)cc(OC)c1
Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-6-13(24-2)9-14(7-11)25-3)12-4-5-16-15(8-12)17(19)22-18(20)21-16/h4-9H,10H2,1-3H3,(H4,19,20,21,22)
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n/an/a 4.70n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)


J Med Chem 41: 3426-34 (1998)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50066495
PNG
(CHEMBL113816 | N*6*-(3,5-Dimethoxy-benzyl)-N*6*-me...)
Show SMILES COc1cc(CN(C)c2ccc3nc(N)nc(N)c3c2)cc(OC)c1
Show InChI InChI=1S/C18H21N5O2/c1-23(10-11-6-13(24-2)9-14(7-11)25-3)12-4-5-16-15(8-12)17(19)22-18(20)21-16/h4-9H,10H2,1-3H3,(H4,19,20,21,22)
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n/an/a 4.70n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)


J Med Chem 41: 3426-34 (1998)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50031867
PNG
(6-((methyl(3,4,5-trimethoxyphenyl)amino)methyl)pyr...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-7-13(25-2)16(27-4)14(8-11)26-3)9-10-5-6-12-15(21-10)17(19)23-18(20)22-12/h5-8H,9H2,1-4H3,(H4,19,20,22,23)
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n/an/a 4.70n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Concentration inhibiting T. gondii dihydrofolate reductase


J Med Chem 38: 2615-20 (1995)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034933
PNG
(6-[(3,5-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-11-4-12(24-2)6-13(5-11)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 4.80n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034933
PNG
(6-[(3,5-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-11-4-12(24-2)6-13(5-11)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii


J Med Chem 38: 1778-85 (1995)

More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18268
PNG
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
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n/an/a 5.10n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii (tg) Dihydrofolate reductase (DHFR)


J Med Chem 45: 5173-81 (2002)

More data for this
Ligand-Target Pair
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