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PubMed code 8627607

Compile data set for download or QSAR
Found 147 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
Dihydrofolate reductase


(Rattus norvegicus (rat))
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 1.5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049575
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES CC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3n2)cc1
Show InChI InChI=1S/C16H16N6O/c1-9(23)10-2-4-11(5-3-10)19-8-12-6-7-13-14(20-12)15(17)22-16(18)21-13/h2-7,19H,8H2,1H3,(H4,17,18,21,22)
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n/an/a 2.5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049609
PNG
(6-{[(3,4-Dimethoxy-phenyl)-methyl-amino]-methyl}-p...)
Show SMILES COc1ccc(cc1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C17H20N6O2/c1-23(11-5-7-13(24-2)14(8-11)25-3)9-10-4-6-12-15(20-10)16(18)22-17(19)21-12/h4-8H,9H2,1-3H3,(H4,18,19,21,22)
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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 rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
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 3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049587
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C17H18N6O/c1-10(24)11-3-6-13(7-4-11)23(2)9-12-5-8-14-15(20-12)16(18)22-17(19)21-14/h3-8H,9H2,1-2H3,(H4,18,19,21,22)
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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 rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049583
PNG
(6-[(Methyl-naphthalen-2-yl-amino)-methyl]-pyrido[3...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H18N6/c1-25(15-8-6-12-4-2-3-5-13(12)10-15)11-14-7-9-16-17(22-14)18(20)24-19(21)23-16/h2-10H,11H2,1H3,(H4,20,21,23,24)
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n/an/a 7.20n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049604
PNG
(6-[(Methyl-naphthalen-1-yl-amino)-methyl]-pyrido[3...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1cccc2ccccc12
Show InChI InChI=1S/C19H18N6/c1-25(16-8-4-6-12-5-2-3-7-14(12)16)11-13-9-10-15-17(22-13)18(20)24-19(21)23-15/h2-10H,11H2,1H3,(H4,20,21,23,24)
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n/an/a 7.30n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049585
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES Nc1nc(N)c2nc(CN(CC#C)c3ccc(cc3)C(=O)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C19H15F3N6O/c1-2-9-28(13-6-3-11(4-7-13)16(29)19(20,21)22)10-12-5-8-14-15(25-12)17(23)27-18(24)26-14/h1,3-8H,9-10H2,(H4,23,24,26,27)
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n/an/a 7.5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
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 8.40n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049609
PNG
(6-{[(3,4-Dimethoxy-phenyl)-methyl-amino]-methyl}-p...)
Show SMILES COc1ccc(cc1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C17H20N6O2/c1-23(11-5-7-13(24-2)14(8-11)25-3)9-10-4-6-12-15(20-10)16(18)22-17(19)21-12/h4-8H,9H2,1-3H3,(H4,18,19,21,22)
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n/an/a 9.80n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
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 10n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049603
PNG
(6-{[(2,4-Dimethoxy-phenyl)-methyl-amino]-methyl}-p...)
Show SMILES COc1ccc(N(C)Cc2ccc3nc(N)nc(N)c3n2)c(OC)c1
Show InChI InChI=1S/C17H20N6O2/c1-23(13-7-5-11(24-2)8-14(13)25-3)9-10-4-6-12-15(20-10)16(18)22-17(19)21-12/h4-8H,9H2,1-3H3,(H4,18,19,21,22)
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n/an/a 14n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049599
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES CC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C19H18N6O/c1-3-10-25(15-7-4-13(5-8-15)12(2)26)11-14-6-9-16-17(22-14)18(20)24-19(21)23-16/h1,4-9H,10-11H2,2H3,(H4,20,21,23,24)
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n/an/a 15n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049576
PNG
(6-{[(2-Chloro-phenyl)-methyl-amino]-methyl}-pyrido...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccccc1Cl
Show InChI InChI=1S/C15H15ClN6/c1-22(12-5-3-2-4-10(12)16)8-9-6-7-11-13(19-9)14(17)21-15(18)20-11/h2-7H,8H2,1H3,(H4,17,18,20,21)
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n/an/a 15n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049587
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C17H18N6O/c1-10(24)11-3-6-13(7-4-11)23(2)9-12-5-8-14-15(20-12)16(18)22-17(19)21-14/h3-8H,9H2,1-2H3,(H4,18,19,21,22)
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n/an/a 15n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049607
PNG
(6-{[(3-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1cccc(c1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(11-4-3-5-12(8-11)23-2)9-10-6-7-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
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n/an/a 15n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049603
PNG
(6-{[(2,4-Dimethoxy-phenyl)-methyl-amino]-methyl}-p...)
Show SMILES COc1ccc(N(C)Cc2ccc3nc(N)nc(N)c3n2)c(OC)c1
Show InChI InChI=1S/C17H20N6O2/c1-23(13-7-5-11(24-2)8-14(13)25-3)9-10-4-6-12-15(20-10)16(18)22-17(19)21-12/h4-8H,9H2,1-3H3,(H4,18,19,21,22)
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n/an/a 16n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049601
PNG
(6-{[(4-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1ccc(cc1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(11-4-6-12(23-2)7-5-11)9-10-3-8-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
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n/an/a 16n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049583
PNG
(6-[(Methyl-naphthalen-2-yl-amino)-methyl]-pyrido[3...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H18N6/c1-25(15-8-6-12-4-2-3-5-13(12)10-15)11-14-7-9-16-17(22-14)18(20)24-19(21)23-16/h2-10H,11H2,1H3,(H4,20,21,23,24)
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n/an/a 16n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50031869
PNG
(6-(((3,4-dichlorophenyl)(methyl)amino)methyl)pyrid...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-3-4-10(16)11(17)6-9)7-8-2-5-12-13(20-8)14(18)22-15(19)21-12/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 17n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
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 17n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049601
PNG
(6-{[(4-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1ccc(cc1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(11-4-6-12(23-2)7-5-11)9-10-3-8-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
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n/an/a 18n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049604
PNG
(6-[(Methyl-naphthalen-1-yl-amino)-methyl]-pyrido[3...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1cccc2ccccc12
Show InChI InChI=1S/C19H18N6/c1-25(16-8-4-6-12-5-2-3-7-14(12)16)11-13-9-10-15-17(22-13)18(20)24-19(21)23-15/h2-10H,11H2,1H3,(H4,20,21,23,24)
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n/an/a 18n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049599
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES CC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C19H18N6O/c1-3-10-25(15-7-4-13(5-8-15)12(2)26)11-14-6-9-16-17(22-14)18(20)24-19(21)23-16/h1,4-9H,10-11H2,2H3,(H4,20,21,23,24)
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n/an/a 20n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50031866
PNG
(6-(((3-chlorophenyl)(methyl)amino)methyl)pyrido[3,...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1cccc(Cl)c1
Show InChI InChI=1S/C15H15ClN6/c1-22(11-4-2-3-9(16)7-11)8-10-5-6-12-13(19-10)14(17)21-15(18)20-12/h2-7H,8H2,1H3,(H4,17,18,20,21)
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n/an/a 20n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
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 24n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049579
PNG
(6-{[(2,5-Dichloro-phenyl)-methyl-amino]-methyl}-py...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C15H14Cl2N6/c1-23(12-6-8(16)2-4-10(12)17)7-9-3-5-11-13(20-9)14(18)22-15(19)21-11/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 25n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049613
PNG
(6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-p...)
Show SMILES COc1ccc(OC)c(c1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C17H20N6O2/c1-23(13-8-11(24-2)5-7-14(13)25-3)9-10-4-6-12-15(20-10)16(18)22-17(19)21-12/h4-8H,9H2,1-3H3,(H4,18,19,21,22)
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n/an/a 25n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
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 26n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049582
PNG
(6-(Naphthalen-1-ylaminomethyl)-pyrido[3,2-d]pyrimi...)
Show SMILES Nc1nc(N)c2nc(CNc3cccc4ccccc34)ccc2n1
Show InChI InChI=1S/C18H16N6/c19-17-16-15(23-18(20)24-17)9-8-12(22-16)10-21-14-7-3-5-11-4-1-2-6-13(11)14/h1-9,21H,10H2,(H4,19,20,23,24)
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n/an/a 26n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049612
PNG
(6-{[(2-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1ccccc1N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(12-5-3-4-6-13(12)23-2)9-10-7-8-11-14(19-10)15(17)21-16(18)20-11/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
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n/an/a 26n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049575
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES CC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3n2)cc1
Show InChI InChI=1S/C16H16N6O/c1-9(23)10-2-4-11(5-3-10)19-8-12-6-7-13-14(20-12)15(17)22-16(18)21-13/h2-7,19H,8H2,1H3,(H4,17,18,21,22)
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n/an/a 27n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50031869
PNG
(6-(((3,4-dichlorophenyl)(methyl)amino)methyl)pyrid...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-3-4-10(16)11(17)6-9)7-8-2-5-12-13(20-8)14(18)22-15(19)21-12/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 27n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049608
PNG
(6-[(2,6-Dichloro-phenylamino)-methyl]-pyrido[3,2-d...)
Show SMILES Nc1nc(N)c2nc(CNc3c(Cl)cccc3Cl)ccc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-8-2-1-3-9(16)11(8)19-6-7-4-5-10-12(20-7)13(17)22-14(18)21-10/h1-5,19H,6H2,(H4,17,18,21,22)
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n/an/a 28n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049586
PNG
(6-{[(2,6-Dichloro-phenyl)-methyl-amino]-methyl}-py...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C15H14Cl2N6/c1-23(13-9(16)3-2-4-10(13)17)7-8-5-6-11-12(20-8)14(18)22-15(19)21-11/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 30n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
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 31n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049590
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6O/c1-26(11-5-2-9(3-6-11)14(27)17(18,19)20)8-10-4-7-12-13(23-10)15(21)25-16(22)24-12/h2-7H,8H2,1H3,(H4,21,22,24,25)
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n/an/a 32n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049607
PNG
(6-{[(3-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1cccc(c1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(11-4-3-5-12(8-11)23-2)9-10-6-7-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
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n/an/a 35n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049588
PNG
(6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl3N6/c1-24(8-4-9(16)12(18)10(17)5-8)6-7-2-3-11-13(21-7)14(19)23-15(20)22-11/h2-5H,6H2,1H3,(H4,19,20,22,23)
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n/an/a 38n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50031869
PNG
(6-(((3,4-dichlorophenyl)(methyl)amino)methyl)pyrid...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-3-4-10(16)11(17)6-9)7-8-2-5-12-13(20-8)14(18)22-15(19)21-12/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 38n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049582
PNG
(6-(Naphthalen-1-ylaminomethyl)-pyrido[3,2-d]pyrimi...)
Show SMILES Nc1nc(N)c2nc(CNc3cccc4ccccc34)ccc2n1
Show InChI InChI=1S/C18H16N6/c19-17-16-15(23-18(20)24-17)9-8-12(22-16)10-21-14-7-3-5-11-4-1-2-6-13(11)14/h1-9,21H,10H2,(H4,19,20,23,24)
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n/an/a 40n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50031868
PNG
(6-((3,4,5-trimethoxyphenylamino)methyl)pyrido[3,2-...)
Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C17H20N6O3/c1-24-12-6-10(7-13(25-2)15(12)26-3)20-8-9-4-5-11-14(21-9)16(18)23-17(19)22-11/h4-7,20H,8H2,1-3H3,(H4,18,19,22,23)
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n/an/a 40n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049604
PNG
(6-[(Methyl-naphthalen-1-yl-amino)-methyl]-pyrido[3...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1cccc2ccccc12
Show InChI InChI=1S/C19H18N6/c1-25(16-8-4-6-12-5-2-3-7-14(12)16)11-13-9-10-15-17(22-13)18(20)24-19(21)23-15/h2-10H,11H2,1H3,(H4,20,21,23,24)
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n/an/a 40n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
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 42n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049591
PNG
(6-{[Methyl-(2,4,6-trichloro-phenyl)-amino]-methyl}...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C15H13Cl3N6/c1-24(13-9(17)4-7(16)5-10(13)18)6-8-2-3-11-12(21-8)14(19)23-15(20)22-11/h2-5H,6H2,1H3,(H4,19,20,22,23)
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n/an/a 44n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049589
PNG
(6-[(3,4,5-Trichloro-phenylamino)-methyl]-pyrido[3,...)
Show SMILES Nc1nc(N)c2nc(CNc3cc(Cl)c(Cl)c(Cl)c3)ccc2n1
Show InChI InChI=1S/C14H11Cl3N6/c15-8-3-7(4-9(16)11(8)17)20-5-6-1-2-10-12(21-6)13(18)23-14(19)22-10/h1-4,20H,5H2,(H4,18,19,22,23)
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n/an/a 44n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049615
PNG
(6-[(2,4,6-Trichloro-phenylamino)-methyl]-pyrido[3,...)
Show SMILES Nc1nc(N)c2nc(CNc3c(Cl)cc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C14H11Cl3N6/c15-6-3-8(16)11(9(17)4-6)20-5-7-1-2-10-12(21-7)13(18)23-14(19)22-10/h1-4,20H,5H2,(H4,18,19,22,23)
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n/an/a 46n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049590
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6O/c1-26(11-5-2-9(3-6-11)14(27)17(18,19)20)8-10-4-7-12-13(23-10)15(21)25-16(22)24-12/h2-7H,8H2,1H3,(H4,21,22,24,25)
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n/an/a 46n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049579
PNG
(6-{[(2,5-Dichloro-phenyl)-methyl-amino]-methyl}-py...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C15H14Cl2N6/c1-23(12-6-8(16)2-4-10(12)17)7-9-3-5-11-13(20-9)14(18)22-15(19)21-11/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 47n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049598
PNG
(6-(Naphthalen-2-ylsulfanylmethyl)-pyrido[3,2-d]pyr...)
Show SMILES Nc1nc(N)c2nc(CSc3ccc4ccccc4c3)ccc2n1
Show InChI InChI=1S/C18H15N5S/c19-17-16-15(22-18(20)23-17)8-6-13(21-16)10-24-14-7-5-11-3-1-2-4-12(11)9-14/h1-9H,10H2,(H4,19,20,22,23)
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n/an/a 48n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049586
PNG
(6-{[(2,6-Dichloro-phenyl)-methyl-amino]-methyl}-py...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C15H14Cl2N6/c1-23(13-9(16)3-2-4-10(13)17)7-8-5-6-11-12(20-8)14(18)22-15(19)21-11/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 48n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049595
PNG
(6-(Naphthalen-1-ylsulfanylmethyl)-pyrido[3,2-d]pyr...)
Show SMILES Nc1nc(N)c2nc(CSc3cccc4ccccc34)ccc2n1
Show InChI InChI=1S/C18H15N5S/c19-17-16-14(22-18(20)23-17)9-8-12(21-16)10-24-15-7-3-5-11-4-1-2-6-13(11)15/h1-9H,10H2,(H4,19,20,22,23)
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n/an/a 49n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049613
PNG
(6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-p...)
Show SMILES COc1ccc(OC)c(c1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C17H20N6O2/c1-23(13-8-11(24-2)5-7-14(13)25-3)9-10-4-6-12-15(20-10)16(18)22-17(19)21-12/h4-8H,9H2,1-3H3,(H4,18,19,21,22)
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n/an/a 50n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049610
PNG
(6-{[(2,4-Dichloro-phenyl)-methyl-amino]-methyl}-py...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H14Cl2N6/c1-23(12-5-2-8(16)6-10(12)17)7-9-3-4-11-13(20-9)14(18)22-15(19)21-11/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 50n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049578
PNG
(6-[(2,4-Dichloro-phenylamino)-methyl]-pyrido[3,2-d...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-7-1-3-10(9(16)5-7)19-6-8-2-4-11-12(20-8)13(17)22-14(18)21-11/h1-5,19H,6H2,(H4,17,18,21,22)
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n/an/a 50n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049583
PNG
(6-[(Methyl-naphthalen-2-yl-amino)-methyl]-pyrido[3...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H18N6/c1-25(15-8-6-12-4-2-3-5-13(12)10-15)11-14-7-9-16-17(22-14)18(20)24-19(21)23-16/h2-10H,11H2,1H3,(H4,20,21,23,24)
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n/an/a 52n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049591
PNG
(6-{[Methyl-(2,4,6-trichloro-phenyl)-amino]-methyl}...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C15H13Cl3N6/c1-24(13-9(17)4-7(16)5-10(13)18)6-8-2-3-11-12(21-8)14(19)23-15(20)22-11/h2-5H,6H2,1H3,(H4,19,20,22,23)
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n/an/a 52n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049585
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES Nc1nc(N)c2nc(CN(CC#C)c3ccc(cc3)C(=O)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C19H15F3N6O/c1-2-9-28(13-6-3-11(4-7-13)16(29)19(20,21)22)10-12-5-8-14-15(25-12)17(23)27-18(24)26-14/h1,3-8H,9-10H2,(H4,23,24,26,27)
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n/an/a 54n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049600
PNG
(6-[(3,4-Dichloro-phenylamino)-methyl]-pyrido[3,2-d...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(Cl)c(Cl)c3)ccc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-9-3-1-7(5-10(9)16)19-6-8-2-4-11-12(20-8)13(17)22-14(18)21-11/h1-5,19H,6H2,(H4,17,18,21,22)
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n/an/a 54n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049584
PNG
(6-[(4-Methoxy-phenylamino)-methyl]-pyrido[3,2-d]py...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3n2)cc1
Show InChI InChI=1S/C15H16N6O/c1-22-11-5-2-9(3-6-11)18-8-10-4-7-12-13(19-10)14(16)21-15(17)20-12/h2-7,18H,8H2,1H3,(H4,16,17,20,21)
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n/an/a 54n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049600
PNG
(6-[(3,4-Dichloro-phenylamino)-methyl]-pyrido[3,2-d...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(Cl)c(Cl)c3)ccc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-9-3-1-7(5-10(9)16)19-6-8-2-4-11-12(20-8)13(17)22-14(18)21-11/h1-5,19H,6H2,(H4,17,18,21,22)
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n/an/a 57n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049610
PNG
(6-{[(2,4-Dichloro-phenyl)-methyl-amino]-methyl}-py...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H14Cl2N6/c1-23(12-5-2-8(16)6-10(12)17)7-9-3-4-11-13(20-9)14(18)22-15(19)21-11/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 58n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049597
PNG
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-pyrido[3,2-...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3n2)cc1OC
Show InChI InChI=1S/C16H18N6O2/c1-23-12-6-4-9(7-13(12)24-2)19-8-10-3-5-11-14(20-10)15(17)22-16(18)21-11/h3-7,19H,8H2,1-2H3,(H4,17,18,21,22)
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n/an/a 60n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049596
PNG
(6-(4-Methoxy-phenylsulfanylmethyl)-5-methyl-pyrido...)
Show SMILES COc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1
Show InChI InChI=1S/C16H17N5OS/c1-9-10(8-23-12-5-3-11(22-2)4-6-12)7-19-15-13(9)14(17)20-16(18)21-15/h3-7H,8H2,1-2H3,(H4,17,18,19,20,21)
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n/an/a 63n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50031866
PNG
(6-(((3-chlorophenyl)(methyl)amino)methyl)pyrido[3,...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1cccc(Cl)c1
Show InChI InChI=1S/C15H15ClN6/c1-22(11-4-2-3-9(16)7-11)8-10-5-6-12-13(19-10)14(17)21-15(18)20-12/h2-7H,8H2,1H3,(H4,17,18,20,21)
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n/an/a 67n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049584
PNG
(6-[(4-Methoxy-phenylamino)-methyl]-pyrido[3,2-d]py...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3n2)cc1
Show InChI InChI=1S/C15H16N6O/c1-22-11-5-2-9(3-6-11)18-8-10-4-7-12-13(19-10)14(16)21-15(17)20-12/h2-7,18H,8H2,1H3,(H4,16,17,20,21)
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n/an/a 73n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049608
PNG
(6-[(2,6-Dichloro-phenylamino)-methyl]-pyrido[3,2-d...)
Show SMILES Nc1nc(N)c2nc(CNc3c(Cl)cccc3Cl)ccc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-8-2-1-3-9(16)11(8)19-6-7-4-5-10-12(20-7)13(17)22-14(18)21-10/h1-5,19H,6H2,(H4,17,18,21,22)
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n/an/a 82n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049593
PNG
(6-Phenylaminomethyl-pyrido[3,2-d]pyrimidine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CNc3ccccc3)ccc2n1
Show InChI InChI=1S/C14H14N6/c15-13-12-11(19-14(16)20-13)7-6-10(18-12)8-17-9-4-2-1-3-5-9/h1-7,17H,8H2,(H4,15,16,19,20)
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n/an/a 85n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049598
PNG
(6-(Naphthalen-2-ylsulfanylmethyl)-pyrido[3,2-d]pyr...)
Show SMILES Nc1nc(N)c2nc(CSc3ccc4ccccc4c3)ccc2n1
Show InChI InChI=1S/C18H15N5S/c19-17-16-15(22-18(20)23-17)8-6-13(21-16)10-24-14-7-5-11-3-1-2-4-12(11)9-14/h1-9H,10H2,(H4,19,20,22,23)
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n/an/a 86n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049588
PNG
(6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl3N6/c1-24(8-4-9(16)12(18)10(17)5-8)6-7-2-3-11-13(21-7)14(19)23-15(20)22-11/h2-5H,6H2,1H3,(H4,19,20,22,23)
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n/an/a 87n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049589
PNG
(6-[(3,4,5-Trichloro-phenylamino)-methyl]-pyrido[3,...)
Show SMILES Nc1nc(N)c2nc(CNc3cc(Cl)c(Cl)c(Cl)c3)ccc2n1
Show InChI InChI=1S/C14H11Cl3N6/c15-8-3-7(4-9(16)11(8)17)20-5-6-1-2-10-12(21-6)13(18)23-14(19)22-10/h1-4,20H,5H2,(H4,18,19,22,23)
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n/an/a 87n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049578
PNG
(6-[(2,4-Dichloro-phenylamino)-methyl]-pyrido[3,2-d...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-7-1-3-10(9(16)5-7)19-6-8-2-4-11-12(20-8)13(17)22-14(18)21-11/h1-5,19H,6H2,(H4,17,18,21,22)
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n/an/a 88n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049597
PNG
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-pyrido[3,2-...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3n2)cc1OC
Show InChI InChI=1S/C16H18N6O2/c1-23-12-6-4-9(7-13(12)24-2)19-8-10-3-5-11-14(20-10)15(17)22-16(18)21-11/h3-7,19H,8H2,1-2H3,(H4,17,18,21,22)
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n/an/a 90n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049592
PNG
(6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[3,2-d...)
Show SMILES Nc1nc(N)c2nc(CNc3cc(Cl)ccc3Cl)ccc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-7-1-3-9(16)11(5-7)19-6-8-2-4-10-12(20-8)13(17)22-14(18)21-10/h1-5,19H,6H2,(H4,17,18,21,22)
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n/an/a 91n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049609
PNG
(6-{[(3,4-Dimethoxy-phenyl)-methyl-amino]-methyl}-p...)
Show SMILES COc1ccc(cc1OC)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C17H20N6O2/c1-23(11-5-7-13(24-2)14(8-11)25-3)9-10-4-6-12-15(20-10)16(18)22-17(19)21-12/h4-8H,9H2,1-3H3,(H4,18,19,21,22)
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n/an/a 91n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049607
PNG
(6-{[(3-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1cccc(c1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(11-4-3-5-12(8-11)23-2)9-10-6-7-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
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n/an/a 97n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049577
PNG
(6-[(3-Methoxy-phenylamino)-methyl]-pyrido[3,2-d]py...)
Show SMILES COc1cccc(NCc2ccc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C15H16N6O/c1-22-11-4-2-3-9(7-11)18-8-10-5-6-12-13(19-10)14(16)21-15(17)20-12/h2-7,18H,8H2,1H3,(H4,16,17,20,21)
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n/an/a 100n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049594
PNG
(6-[(2-Chloro-phenylamino)-methyl]-pyrido[3,2-d]pyr...)
Show SMILES Nc1nc(N)c2nc(CNc3ccccc3Cl)ccc2n1
Show InChI InChI=1S/C14H13ClN6/c15-9-3-1-2-4-10(9)18-7-8-5-6-11-12(19-8)13(16)21-14(17)20-11/h1-6,18H,7H2,(H4,16,17,20,21)
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n/an/a 110n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049585
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES Nc1nc(N)c2nc(CN(CC#C)c3ccc(cc3)C(=O)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C19H15F3N6O/c1-2-9-28(13-6-3-11(4-7-13)16(29)19(20,21)22)10-12-5-8-14-15(25-12)17(23)27-18(24)26-14/h1,3-8H,9-10H2,(H4,23,24,26,27)
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n/an/a 120n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049576
PNG
(6-{[(2-Chloro-phenyl)-methyl-amino]-methyl}-pyrido...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccccc1Cl
Show InChI InChI=1S/C15H15ClN6/c1-22(12-5-3-2-4-10(12)16)8-9-6-7-11-13(19-9)14(17)21-15(18)20-11/h2-7H,8H2,1H3,(H4,17,18,20,21)
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n/an/a 120n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50031872
PNG
(6-((2,5-dimethoxyphenylamino)methyl)pyrido[3,2-d]p...)
Show SMILES COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-10-4-6-13(24-2)12(7-10)19-8-9-3-5-11-14(20-9)15(17)22-16(18)21-11/h3-7,19H,8H2,1-2H3,(H4,17,18,21,22)
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n/an/a 120n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049591
PNG
(6-{[Methyl-(2,4,6-trichloro-phenyl)-amino]-methyl}...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C15H13Cl3N6/c1-24(13-9(17)4-7(16)5-10(13)18)6-8-2-3-11-12(21-8)14(19)23-15(20)22-11/h2-5H,6H2,1H3,(H4,19,20,22,23)
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n/an/a 120n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049612
PNG
(6-{[(2-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1ccccc1N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(12-5-3-4-6-13(12)23-2)9-10-7-8-11-14(19-10)15(17)21-16(18)20-11/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
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n/an/a 120n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049605
PNG
(6-[(2-Methoxy-phenylamino)-methyl]-pyrido[3,2-d]py...)
Show SMILES COc1ccccc1NCc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C15H16N6O/c1-22-12-5-3-2-4-10(12)18-8-9-6-7-11-13(19-9)14(16)21-15(17)20-11/h2-7,18H,8H2,1H3,(H4,16,17,20,21)
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n/an/a 120n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049581
PNG
(6-Phenylsulfanylmethyl-pyrido[3,2-d]pyrimidine-2,4...)
Show SMILES Nc1nc(N)c2nc(CSc3ccccc3)ccc2n1
Show InChI InChI=1S/C14H13N5S/c15-13-12-11(18-14(16)19-13)7-6-9(17-12)8-20-10-4-2-1-3-5-10/h1-7H,8H2,(H4,15,16,18,19)
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n/an/a 130n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
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 130n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049587
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C17H18N6O/c1-10(24)11-3-6-13(7-4-11)23(2)9-12-5-8-14-15(20-12)16(18)22-17(19)21-14/h3-8H,9H2,1-2H3,(H4,18,19,21,22)
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n/an/a 130n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049614
PNG
(6-[(3-Chloro-phenylamino)-methyl]-pyrido[3,2-d]pyr...)
Show SMILES Nc1nc(N)c2nc(CNc3cccc(Cl)c3)ccc2n1
Show InChI InChI=1S/C14H13ClN6/c15-8-2-1-3-9(6-8)18-7-10-4-5-11-12(19-10)13(16)21-14(17)20-11/h1-6,18H,7H2,(H4,16,17,20,21)
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n/an/a 130n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049606
PNG
(6-[(2,4-Dimethoxy-phenylamino)-methyl]-pyrido[3,2-...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3n2)c(OC)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-10-4-6-11(13(7-10)24-2)19-8-9-3-5-12-14(20-9)15(17)22-16(18)21-12/h3-7,19H,8H2,1-2H3,(H4,17,18,21,22)
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n/an/a 140n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049594
PNG
(6-[(2-Chloro-phenylamino)-methyl]-pyrido[3,2-d]pyr...)
Show SMILES Nc1nc(N)c2nc(CNc3ccccc3Cl)ccc2n1
Show InChI InChI=1S/C14H13ClN6/c15-9-3-1-2-4-10(9)18-7-8-5-6-11-12(19-8)13(16)21-14(17)20-11/h1-6,18H,7H2,(H4,16,17,20,21)
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n/an/a 140n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049614
PNG
(6-[(3-Chloro-phenylamino)-methyl]-pyrido[3,2-d]pyr...)
Show SMILES Nc1nc(N)c2nc(CNc3cccc(Cl)c3)ccc2n1
Show InChI InChI=1S/C14H13ClN6/c15-8-2-1-3-9(6-8)18-7-10-4-5-11-12(19-10)13(16)21-14(17)20-11/h1-6,18H,7H2,(H4,16,17,20,21)
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n/an/a 140n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049579
PNG
(6-{[(2,5-Dichloro-phenyl)-methyl-amino]-methyl}-py...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C15H14Cl2N6/c1-23(12-6-8(16)2-4-10(12)17)7-9-3-5-11-13(20-9)14(18)22-15(19)21-11/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 150n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049580
PNG
(6-(Naphthalen-2-ylaminomethyl)-pyrido[3,2-d]pyrimi...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc4ccccc4c3)ccc2n1
Show InChI InChI=1S/C18H16N6/c19-17-16-15(23-18(20)24-17)8-7-14(22-16)10-21-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,21H,10H2,(H4,19,20,23,24)
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n/an/a 160n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049595
PNG
(6-(Naphthalen-1-ylsulfanylmethyl)-pyrido[3,2-d]pyr...)
Show SMILES Nc1nc(N)c2nc(CSc3cccc4ccccc34)ccc2n1
Show InChI InChI=1S/C18H15N5S/c19-17-16-14(22-18(20)23-17)9-8-12(21-16)10-24-15-7-3-5-11-4-1-2-6-13(11)15/h1-9H,10H2,(H4,19,20,22,23)
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n/an/a 160n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049603
PNG
(6-{[(2,4-Dimethoxy-phenyl)-methyl-amino]-methyl}-p...)
Show SMILES COc1ccc(N(C)Cc2ccc3nc(N)nc(N)c3n2)c(OC)c1
Show InChI InChI=1S/C17H20N6O2/c1-23(13-7-5-11(24-2)8-14(13)25-3)9-10-4-6-12-15(20-10)16(18)22-17(19)21-12/h4-8H,9H2,1-3H3,(H4,18,19,21,22)
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n/an/a 160n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049586
PNG
(6-{[(2,6-Dichloro-phenyl)-methyl-amino]-methyl}-py...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C15H14Cl2N6/c1-23(13-9(16)3-2-4-10(13)17)7-8-5-6-11-12(20-8)14(18)22-15(19)21-11/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 170n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049592
PNG
(6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[3,2-d...)
Show SMILES Nc1nc(N)c2nc(CNc3cc(Cl)ccc3Cl)ccc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-7-1-3-9(16)11(5-7)19-6-8-2-4-10-12(20-8)13(17)22-14(18)21-10/h1-5,19H,6H2,(H4,17,18,21,22)
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n/an/a 200n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50031868
PNG
(6-((3,4,5-trimethoxyphenylamino)methyl)pyrido[3,2-...)
Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C17H20N6O3/c1-24-12-6-10(7-13(25-2)15(12)26-3)20-8-9-4-5-11-14(21-9)16(18)23-17(19)22-11/h4-7,20H,8H2,1-3H3,(H4,18,19,22,23)
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n/an/a 200n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049577
PNG
(6-[(3-Methoxy-phenylamino)-methyl]-pyrido[3,2-d]py...)
Show SMILES COc1cccc(NCc2ccc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C15H16N6O/c1-22-11-4-2-3-9(7-11)18-8-10-5-6-12-13(19-10)14(16)21-15(17)20-12/h2-7,18H,8H2,1H3,(H4,16,17,20,21)
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n/an/a 200n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049580
PNG
(6-(Naphthalen-2-ylaminomethyl)-pyrido[3,2-d]pyrimi...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc4ccccc4c3)ccc2n1
Show InChI InChI=1S/C18H16N6/c19-17-16-15(23-18(20)24-17)8-7-14(22-16)10-21-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,21H,10H2,(H4,19,20,23,24)
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n/an/a 210n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049576
PNG
(6-{[(2-Chloro-phenyl)-methyl-amino]-methyl}-pyrido...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccccc1Cl
Show InChI InChI=1S/C15H15ClN6/c1-22(12-5-3-2-4-10(12)16)8-9-6-7-11-13(19-9)14(17)21-15(18)20-11/h2-7H,8H2,1H3,(H4,17,18,20,21)
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n/an/a 210n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049613
PNG
(6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-p...)
Show SMILES COc1ccc(OC)c(c1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C17H20N6O2/c1-23(13-8-11(24-2)5-7-14(13)25-3)9-10-4-6-12-15(20-10)16(18)22-17(19)21-12/h4-8H,9H2,1-3H3,(H4,18,19,21,22)
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n/an/a 210n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049599
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES CC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C19H18N6O/c1-3-10-25(15-7-4-13(5-8-15)12(2)26)11-14-6-9-16-17(22-14)18(20)24-19(21)23-16/h1,4-9H,10-11H2,2H3,(H4,20,21,23,24)
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n/an/a 220n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049582
PNG
(6-(Naphthalen-1-ylaminomethyl)-pyrido[3,2-d]pyrimi...)
Show SMILES Nc1nc(N)c2nc(CNc3cccc4ccccc34)ccc2n1
Show InChI InChI=1S/C18H16N6/c19-17-16-15(23-18(20)24-17)9-8-12(22-16)10-21-14-7-3-5-11-4-1-2-6-13(11)14/h1-9,21H,10H2,(H4,19,20,23,24)
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n/an/a 230n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049590
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6O/c1-26(11-5-2-9(3-6-11)14(27)17(18,19)20)8-10-4-7-12-13(23-10)15(21)25-16(22)24-12/h2-7H,8H2,1H3,(H4,21,22,24,25)
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n/an/a 250n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049588
PNG
(6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl3N6/c1-24(8-4-9(16)12(18)10(17)5-8)6-7-2-3-11-13(21-7)14(19)23-15(20)22-11/h2-5H,6H2,1H3,(H4,19,20,22,23)
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n/an/a 250n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049601
PNG
(6-{[(4-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1ccc(cc1)N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(11-4-6-12(23-2)7-5-11)9-10-3-8-13-14(19-10)15(17)21-16(18)20-13/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
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n/an/a 250n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049593
PNG
(6-Phenylaminomethyl-pyrido[3,2-d]pyrimidine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CNc3ccccc3)ccc2n1
Show InChI InChI=1S/C14H14N6/c15-13-12-11(19-14(16)20-13)7-6-10(18-12)8-17-9-4-2-1-3-5-9/h1-7,17H,8H2,(H4,15,16,19,20)
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n/an/a 260n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50031872
PNG
(6-((2,5-dimethoxyphenylamino)methyl)pyrido[3,2-d]p...)
Show SMILES COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-10-4-6-13(24-2)12(7-10)19-8-9-3-5-11-14(20-9)15(17)22-16(18)21-11/h3-7,19H,8H2,1-2H3,(H4,17,18,21,22)
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n/an/a 280n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
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 290n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049606
PNG
(6-[(2,4-Dimethoxy-phenylamino)-methyl]-pyrido[3,2-...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3n2)c(OC)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-10-4-6-11(13(7-10)24-2)19-8-9-3-5-12-14(20-9)15(17)22-16(18)21-12/h3-7,19H,8H2,1-2H3,(H4,17,18,21,22)
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n/an/a 320n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049598
PNG
(6-(Naphthalen-2-ylsulfanylmethyl)-pyrido[3,2-d]pyr...)
Show SMILES Nc1nc(N)c2nc(CSc3ccc4ccccc4c3)ccc2n1
Show InChI InChI=1S/C18H15N5S/c19-17-16-15(22-18(20)23-17)8-6-13(21-16)10-24-14-7-5-11-3-1-2-4-12(11)9-14/h1-9H,10H2,(H4,19,20,22,23)
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n/an/a 380n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049575
PNG
(1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmeth...)
Show SMILES CC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3n2)cc1
Show InChI InChI=1S/C16H16N6O/c1-9(23)10-2-4-11(5-3-10)19-8-12-6-7-13-14(20-12)15(17)22-16(18)21-13/h2-7,19H,8H2,1H3,(H4,17,18,21,22)
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n/an/a 410n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049600
PNG
(6-[(3,4-Dichloro-phenylamino)-methyl]-pyrido[3,2-d...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(Cl)c(Cl)c3)ccc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-9-3-1-7(5-10(9)16)19-6-8-2-4-11-12(20-8)13(17)22-14(18)21-11/h1-5,19H,6H2,(H4,17,18,21,22)
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n/an/a 410n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049605
PNG
(6-[(2-Methoxy-phenylamino)-methyl]-pyrido[3,2-d]py...)
Show SMILES COc1ccccc1NCc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C15H16N6O/c1-22-12-5-3-2-4-10(12)18-8-9-6-7-11-13(19-9)14(16)21-15(17)20-11/h2-7,18H,8H2,1H3,(H4,16,17,20,21)
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n/an/a 420n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049595
PNG
(6-(Naphthalen-1-ylsulfanylmethyl)-pyrido[3,2-d]pyr...)
Show SMILES Nc1nc(N)c2nc(CSc3cccc4ccccc34)ccc2n1
Show InChI InChI=1S/C18H15N5S/c19-17-16-14(22-18(20)23-17)9-8-12(21-16)10-24-15-7-3-5-11-4-1-2-6-13(11)15/h1-9H,10H2,(H4,19,20,22,23)
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n/an/a 470n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049610
PNG
(6-{[(2,4-Dichloro-phenyl)-methyl-amino]-methyl}-py...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H14Cl2N6/c1-23(12-5-2-8(16)6-10(12)17)7-9-3-4-11-13(20-9)14(18)22-15(19)21-11/h2-6H,7H2,1H3,(H4,18,19,21,22)
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n/an/a 500n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049612
PNG
(6-{[(2-Methoxy-phenyl)-methyl-amino]-methyl}-pyrid...)
Show SMILES COc1ccccc1N(C)Cc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H18N6O/c1-22(12-5-3-4-6-13(12)23-2)9-10-7-8-11-14(19-10)15(17)21-16(18)20-11/h3-8H,9H2,1-2H3,(H4,17,18,20,21)
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n/an/a 510n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049581
PNG
(6-Phenylsulfanylmethyl-pyrido[3,2-d]pyrimidine-2,4...)
Show SMILES Nc1nc(N)c2nc(CSc3ccccc3)ccc2n1
Show InChI InChI=1S/C14H13N5S/c15-13-12-11(18-14(16)19-13)7-6-9(17-12)8-20-10-4-2-1-3-5-10/h1-7H,8H2,(H4,15,16,18,19)
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n/an/a 520n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049596
PNG
(6-(4-Methoxy-phenylsulfanylmethyl)-5-methyl-pyrido...)
Show SMILES COc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1
Show InChI InChI=1S/C16H17N5OS/c1-9-10(8-23-12-5-3-11(22-2)4-6-12)7-19-15-13(9)14(17)20-16(18)21-15/h3-7H,8H2,1-2H3,(H4,17,18,19,20,21)
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n/an/a 520n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049594
PNG
(6-[(2-Chloro-phenylamino)-methyl]-pyrido[3,2-d]pyr...)
Show SMILES Nc1nc(N)c2nc(CNc3ccccc3Cl)ccc2n1
Show InChI InChI=1S/C14H13ClN6/c15-9-3-1-2-4-10(9)18-7-8-5-6-11-12(19-8)13(16)21-14(17)20-11/h1-6,18H,7H2,(H4,16,17,20,21)
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n/an/a 530n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049596
PNG
(6-(4-Methoxy-phenylsulfanylmethyl)-5-methyl-pyrido...)
Show SMILES COc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1
Show InChI InChI=1S/C16H17N5OS/c1-9-10(8-23-12-5-3-11(22-2)4-6-12)7-19-15-13(9)14(17)20-16(18)21-15/h3-7H,8H2,1-2H3,(H4,17,18,19,20,21)
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n/an/a 560n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049615
PNG
(6-[(2,4,6-Trichloro-phenylamino)-methyl]-pyrido[3,...)
Show SMILES Nc1nc(N)c2nc(CNc3c(Cl)cc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C14H11Cl3N6/c15-6-3-8(16)11(9(17)4-6)20-5-7-1-2-10-12(21-7)13(18)23-14(19)22-10/h1-4,20H,5H2,(H4,18,19,22,23)
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n/an/a 570n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049589
PNG
(6-[(3,4,5-Trichloro-phenylamino)-methyl]-pyrido[3,...)
Show SMILES Nc1nc(N)c2nc(CNc3cc(Cl)c(Cl)c(Cl)c3)ccc2n1
Show InChI InChI=1S/C14H11Cl3N6/c15-8-3-7(4-9(16)11(8)17)20-5-6-1-2-10-12(21-6)13(18)23-14(19)22-10/h1-4,20H,5H2,(H4,18,19,22,23)
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n/an/a 660n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049578
PNG
(6-[(2,4-Dichloro-phenylamino)-methyl]-pyrido[3,2-d...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-7-1-3-10(9(16)5-7)19-6-8-2-4-11-12(20-8)13(17)22-14(18)21-11/h1-5,19H,6H2,(H4,17,18,21,22)
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n/an/a 730n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50049602
PNG
(6-Phenylsulfanylmethyl-pteridine-2,4-diamine | CHE...)
Show SMILES Nc1nc(N)c2nc(CSc3ccccc3)cnc2n1
Show InChI InChI=1S/C13H12N6S/c14-11-10-12(19-13(15)18-11)16-6-8(17-10)7-20-9-4-2-1-3-5-9/h1-6H,7H2,(H4,14,15,16,18,19)
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n/an/a 770n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049584
PNG
(6-[(4-Methoxy-phenylamino)-methyl]-pyrido[3,2-d]py...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3n2)cc1
Show InChI InChI=1S/C15H16N6O/c1-22-11-5-2-9(3-6-11)18-8-10-4-7-12-13(19-10)14(16)21-15(17)20-12/h2-7,18H,8H2,1H3,(H4,16,17,20,21)
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n/an/a 850n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049597
PNG
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-pyrido[3,2-...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3n2)cc1OC
Show InChI InChI=1S/C16H18N6O2/c1-23-12-6-4-9(7-13(12)24-2)19-8-10-3-5-11-14(20-10)15(17)22-16(18)21-11/h3-7,19H,8H2,1-2H3,(H4,17,18,21,22)
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n/an/a 900n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049608
PNG
(6-[(2,6-Dichloro-phenylamino)-methyl]-pyrido[3,2-d...)
Show SMILES Nc1nc(N)c2nc(CNc3c(Cl)cccc3Cl)ccc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-8-2-1-3-9(16)11(8)19-6-7-4-5-10-12(20-7)13(17)22-14(18)21-10/h1-5,19H,6H2,(H4,17,18,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049580
PNG
(6-(Naphthalen-2-ylaminomethyl)-pyrido[3,2-d]pyrimi...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc4ccccc4c3)ccc2n1
Show InChI InChI=1S/C18H16N6/c19-17-16-15(23-18(20)24-17)8-7-14(22-16)10-21-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,21H,10H2,(H4,19,20,23,24)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049592
PNG
(6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[3,2-d...)
Show SMILES Nc1nc(N)c2nc(CNc3cc(Cl)ccc3Cl)ccc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-7-1-3-9(16)11(5-7)19-6-8-2-4-10-12(20-8)13(17)22-14(18)21-10/h1-5,19H,6H2,(H4,17,18,21,22)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049577
PNG
(6-[(3-Methoxy-phenylamino)-methyl]-pyrido[3,2-d]py...)
Show SMILES COc1cccc(NCc2ccc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C15H16N6O/c1-22-11-4-2-3-9(7-11)18-8-10-5-6-12-13(19-10)14(16)21-15(17)20-12/h2-7,18H,8H2,1H3,(H4,16,17,20,21)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049593
PNG
(6-Phenylaminomethyl-pyrido[3,2-d]pyrimidine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CNc3ccccc3)ccc2n1
Show InChI InChI=1S/C14H14N6/c15-13-12-11(19-14(16)20-13)7-6-10(18-12)8-17-9-4-2-1-3-5-9/h1-7,17H,8H2,(H4,15,16,19,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049581
PNG
(6-Phenylsulfanylmethyl-pyrido[3,2-d]pyrimidine-2,4...)
Show SMILES Nc1nc(N)c2nc(CSc3ccccc3)ccc2n1
Show InChI InChI=1S/C14H13N5S/c15-13-12-11(18-14(16)19-13)7-6-9(17-12)8-20-10-4-2-1-3-5-10/h1-7H,8H2,(H4,15,16,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50031868
PNG
(6-((3,4,5-trimethoxyphenylamino)methyl)pyrido[3,2-...)
Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C17H20N6O3/c1-24-12-6-10(7-13(25-2)15(12)26-3)20-8-9-4-5-11-14(21-9)16(18)23-17(19)22-11/h4-7,20H,8H2,1-3H3,(H4,18,19,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049614
PNG
(6-[(3-Chloro-phenylamino)-methyl]-pyrido[3,2-d]pyr...)
Show SMILES Nc1nc(N)c2nc(CNc3cccc(Cl)c3)ccc2n1
Show InChI InChI=1S/C14H13ClN6/c15-8-2-1-3-9(6-8)18-7-10-4-5-11-12(19-10)13(16)21-14(17)20-11/h1-6,18H,7H2,(H4,16,17,20,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049615
PNG
(6-[(2,4,6-Trichloro-phenylamino)-methyl]-pyrido[3,...)
Show SMILES Nc1nc(N)c2nc(CNc3c(Cl)cc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C14H11Cl3N6/c15-6-3-8(16)11(9(17)4-6)20-5-7-1-2-10-12(21-7)13(18)23-14(19)22-10/h1-4,20H,5H2,(H4,18,19,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50031866
PNG
(6-(((3-chlorophenyl)(methyl)amino)methyl)pyrido[3,...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2n1)c1cccc(Cl)c1
Show InChI InChI=1S/C15H15ClN6/c1-22(11-4-2-3-9(16)7-11)8-10-5-6-12-13(19-10)14(17)21-15(18)20-12/h2-7H,8H2,1H3,(H4,17,18,20,21)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049605
PNG
(6-[(2-Methoxy-phenylamino)-methyl]-pyrido[3,2-d]py...)
Show SMILES COc1ccccc1NCc1ccc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C15H16N6O/c1-22-12-5-3-2-4-10(12)18-8-9-6-7-11-13(19-9)14(16)21-15(17)20-11/h2-7,18H,8H2,1H3,(H4,16,17,20,21)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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n/an/a 2.70E+3n/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)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50031872
PNG
(6-((2,5-dimethoxyphenylamino)methyl)pyrido[3,2-d]p...)
Show SMILES COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-10-4-6-13(24-2)12(7-10)19-8-9-3-5-11-14(20-9)15(17)22-16(18)21-11/h3-7,19H,8H2,1-2H3,(H4,17,18,21,22)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049606
PNG
(6-[(2,4-Dimethoxy-phenylamino)-methyl]-pyrido[3,2-...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3n2)c(OC)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-10-4-6-11(13(7-10)24-2)19-8-9-3-5-12-14(20-9)15(17)22-16(18)21-12/h3-7,19H,8H2,1-2H3,(H4,17,18,21,22)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM50049602
PNG
(6-Phenylsulfanylmethyl-pteridine-2,4-diamine | CHE...)
Show SMILES Nc1nc(N)c2nc(CSc3ccccc3)cnc2n1
Show InChI InChI=1S/C13H12N6S/c14-11-10-12(19-13(15)18-11)16-6-8(17-10)7-20-9-4-2-1-3-5-9/h1-6H,7H2,(H4,14,15,16,18,19)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Saccharomyces cerevisiae)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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n/an/a 1.30E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50049602
PNG
(6-Phenylsulfanylmethyl-pteridine-2,4-diamine | CHE...)
Show SMILES Nc1nc(N)c2nc(CSc3ccccc3)cnc2n1
Show InChI InChI=1S/C13H12N6S/c14-11-10-12(19-13(15)18-11)16-6-8(17-10)7-20-9-4-2-1-3-5-9/h1-6H,7H2,(H4,14,15,16,18,19)
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n/an/a 2.46E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase.


J Med Chem 39: 1836-45 (1996)


Article DOI: 10.1021/jm950918e
BindingDB Entry DOI: 10.7270/Q2319TXB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%