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PubMed code 14584957

Compile data set for download or QSAR
Found 59 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 (DHFR)


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



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
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
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50029772
PNG
(5-Methyl-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C18H22N6O3/c1-9-10(8-22-17-14(9)16(19)23-18(20)24-17)7-21-11-5-12(25-2)15(27-4)13(6-11)26-3/h5-6,8,21H,7H2,1-4H3,(H4,19,20,22,23,24)
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n/an/a 2.10n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
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
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50051913
PNG
(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)
Show SMILES COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-6-12(24-2)4-5-14(10)25-3)11-7-13-15(18)21-17(19)22-16(13)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 6.30n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50029772
PNG
(5-Methyl-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C18H22N6O3/c1-9-10(8-22-17-14(9)16(19)23-18(20)24-17)7-21-11-5-12(25-2)15(27-4)13(6-11)26-3/h5-6,8,21H,7H2,1-4H3,(H4,19,20,22,23,24)
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n/an/a 7.40n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50029766
PNG
(2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYL...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24)
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n/an/a 7.60n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50056235
PNG
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 9n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
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
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
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 11n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


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



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
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
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
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
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50051913
PNG
(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)
Show SMILES COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-6-12(24-2)4-5-14(10)25-3)11-7-13-15(18)21-17(19)22-16(13)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 57n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50050387
PNG
(6-(Naphthalen-1-ylaminomethyl)-pyrido[2,3-d]pyrimi...)
Show SMILES Nc1nc(N)c2cc(CNc3cccc4ccccc34)cnc2n1
Show InChI InChI=1S/C18H16N6/c19-16-14-8-11(10-22-17(14)24-18(20)23-16)9-21-15-7-3-5-12-4-1-2-6-13(12)15/h1-8,10,21H,9H2,(H4,19,20,22,23,24)
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n/an/a 70n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50051913
PNG
(CHEMBL32113 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-met...)
Show SMILES COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C17H20N6O2/c1-23(9-10-6-12(24-2)4-5-14(10)25-3)11-7-13-15(18)21-17(19)22-16(13)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 84n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50029772
PNG
(5-Methyl-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C18H22N6O3/c1-9-10(8-22-17-14(9)16(19)23-18(20)24-17)7-21-11-5-12(25-2)15(27-4)13(6-11)26-3/h5-6,8,21H,7H2,1-4H3,(H4,19,20,22,23,24)
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n/an/a 86n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50050387
PNG
(6-(Naphthalen-1-ylaminomethyl)-pyrido[2,3-d]pyrimi...)
Show SMILES Nc1nc(N)c2cc(CNc3cccc4ccccc34)cnc2n1
Show InChI InChI=1S/C18H16N6/c19-16-14-8-11(10-22-17(14)24-18(20)23-16)9-21-15-7-3-5-12-4-1-2-6-13(12)15/h1-8,10,21H,9H2,(H4,19,20,22,23,24)
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n/an/a 96n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135139
PNG
(6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-py...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-2-3-11(16)12(17)5-9)7-8-4-10-13(18)21-15(19)22-14(10)20-6-8/h2-6H,7H2,1H3,(H4,18,19,20,21,22)
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n/an/a 110n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135139
PNG
(6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-py...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-2-3-11(16)12(17)5-9)7-8-4-10-13(18)21-15(19)22-14(10)20-6-8/h2-6H,7H2,1H3,(H4,18,19,20,21,22)
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n/an/a 131n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135139
PNG
(6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-py...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2N6/c1-23(9-2-3-11(16)12(17)5-9)7-8-4-10-13(18)21-15(19)22-14(10)20-6-8/h2-6H,7H2,1H3,(H4,18,19,20,21,22)
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n/an/a 180n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135144
PNG
(6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl3N6/c1-24(8-3-10(16)12(18)11(17)4-8)6-7-2-9-13(19)22-15(20)23-14(9)21-5-7/h2-5H,6H2,1H3,(H4,19,20,21,22,23)
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n/an/a 196n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135143
PNG
(6-[(3-Methoxy-phenylamino)-methyl]-pyrido[2,3-d]py...)
Show SMILES COc1cccc(NCc2cnc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C15H16N6O/c1-22-11-4-2-3-10(6-11)18-7-9-5-12-13(16)20-15(17)21-14(12)19-8-9/h2-6,8,18H,7H2,1H3,(H4,16,17,19,20,21)
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n/an/a 210n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135137
PNG
(6-[(3,4-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc(Cl)c(Cl)c3)cnc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-10-2-1-8(4-11(10)16)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22)
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n/an/a 230n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50056235
PNG
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 240n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135137
PNG
(6-[(3,4-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc(Cl)c(Cl)c3)cnc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-10-2-1-8(4-11(10)16)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22)
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n/an/a 250n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135134
PNG
(6-Phenylaminomethyl-pyrido[2,3-d]pyrimidine-2,4-di...)
Show SMILES Nc1nc(N)c2cc(CNc3ccccc3)cnc2n1
Show InChI InChI=1S/C14H14N6/c15-12-11-6-9(7-17-10-4-2-1-3-5-10)8-18-13(11)20-14(16)19-12/h1-6,8,17H,7H2,(H4,15,16,18,19,20)
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n/an/a 270n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135144
PNG
(6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl3N6/c1-24(8-3-10(16)12(18)11(17)4-8)6-7-2-9-13(19)22-15(20)23-14(9)21-5-7/h2-5H,6H2,1H3,(H4,19,20,21,22,23)
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n/an/a 270n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50056235
PNG
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 280n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135141
PNG
(6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)
Show SMILES Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)cnc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22)
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n/an/a 300n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50050386
PNG
(6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC
Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135138
PNG
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C16H18N6O2/c1-23-12-4-3-10(6-13(12)24-2)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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n/an/a 330n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135145
PNG
(6-[(3,4,5-Trichloro-phenylamino)-methyl]-pyrido[2,...)
Show SMILES Nc1nc(N)c2cc(CNc3cc(Cl)c(Cl)c(Cl)c3)cnc2n1
Show InChI InChI=1S/C14H11Cl3N6/c15-9-2-7(3-10(16)11(9)17)20-4-6-1-8-12(18)22-14(19)23-13(8)21-5-6/h1-3,5,20H,4H2,(H4,18,19,21,22,23)
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n/an/a 350n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135138
PNG
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C16H18N6O2/c1-23-12-4-3-10(6-13(12)24-2)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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n/an/a 430n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135141
PNG
(6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)
Show SMILES Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)cnc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22)
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n/an/a 440n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135142
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)
Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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n/an/a 450n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135137
PNG
(6-[(3,4-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc(Cl)c(Cl)c3)cnc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-10-2-1-8(4-11(10)16)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22)
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n/an/a 480n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135143
PNG
(6-[(3-Methoxy-phenylamino)-methyl]-pyrido[2,3-d]py...)
Show SMILES COc1cccc(NCc2cnc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C15H16N6O/c1-22-11-4-2-3-10(6-11)18-7-9-5-12-13(16)20-15(17)21-14(12)19-8-9/h2-6,8,18H,7H2,1H3,(H4,16,17,19,20,21)
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n/an/a 520n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135138
PNG
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C16H18N6O2/c1-23-12-4-3-10(6-13(12)24-2)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050387
PNG
(6-(Naphthalen-1-ylaminomethyl)-pyrido[2,3-d]pyrimi...)
Show SMILES Nc1nc(N)c2cc(CNc3cccc4ccccc34)cnc2n1
Show InChI InChI=1S/C18H16N6/c19-16-14-8-11(10-22-17(14)24-18(20)23-16)9-21-15-7-3-5-12-4-1-2-6-13(12)15/h1-8,10,21H,9H2,(H4,19,20,22,23,24)
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n/an/a 600n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135143
PNG
(6-[(3-Methoxy-phenylamino)-methyl]-pyrido[2,3-d]py...)
Show SMILES COc1cccc(NCc2cnc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C15H16N6O/c1-22-11-4-2-3-10(6-11)18-7-9-5-12-13(16)20-15(17)21-14(12)19-8-9/h2-6,8,18H,7H2,1H3,(H4,16,17,19,20,21)
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n/an/a 790n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135135
PNG
(6-(Naphthalen-2-ylaminomethyl)-pyrido[2,3-d]pyrimi...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc4ccccc4c3)cnc2n1
Show InChI InChI=1S/C18H16N6/c19-16-15-7-11(10-22-17(15)24-18(20)23-16)9-21-14-6-5-12-3-1-2-4-13(12)8-14/h1-8,10,21H,9H2,(H4,19,20,22,23,24)
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n/an/a 830n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135145
PNG
(6-[(3,4,5-Trichloro-phenylamino)-methyl]-pyrido[2,...)
Show SMILES Nc1nc(N)c2cc(CNc3cc(Cl)c(Cl)c(Cl)c3)cnc2n1
Show InChI InChI=1S/C14H11Cl3N6/c15-9-2-7(3-10(16)11(9)17)20-4-6-1-8-12(18)22-14(19)23-13(8)21-5-6/h1-3,5,20H,4H2,(H4,18,19,21,22,23)
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n/an/a 980n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50050386
PNG
(6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC
Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050386
PNG
(6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pyrido[2...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC
Show InChI InChI=1S/C17H20N6O3/c1-24-12-5-10(6-13(25-2)14(12)26-3)20-7-9-4-11-15(18)22-17(19)23-16(11)21-8-9/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135144
PNG
(6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl3N6/c1-24(8-3-10(16)12(18)11(17)4-8)6-7-2-9-13(19)22-15(20)23-14(9)21-5-7/h2-5H,6H2,1H3,(H4,19,20,21,22,23)
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n/an/a 1.98E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135135
PNG
(6-(Naphthalen-2-ylaminomethyl)-pyrido[2,3-d]pyrimi...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc4ccccc4c3)cnc2n1
Show InChI InChI=1S/C18H16N6/c19-16-15-7-11(10-22-17(15)24-18(20)23-16)9-21-14-6-5-12-3-1-2-4-13(12)8-14/h1-8,10,21H,9H2,(H4,19,20,22,23,24)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135134
PNG
(6-Phenylaminomethyl-pyrido[2,3-d]pyrimidine-2,4-di...)
Show SMILES Nc1nc(N)c2cc(CNc3ccccc3)cnc2n1
Show InChI InChI=1S/C14H14N6/c15-12-11-6-9(7-17-10-4-2-1-3-5-10)8-18-13(11)20-14(16)19-12/h1-6,8,17H,7H2,(H4,15,16,18,19,20)
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n/an/a 2.22E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135134
PNG
(6-Phenylaminomethyl-pyrido[2,3-d]pyrimidine-2,4-di...)
Show SMILES Nc1nc(N)c2cc(CNc3ccccc3)cnc2n1
Show InChI InChI=1S/C14H14N6/c15-12-11-6-9(7-17-10-4-2-1-3-5-10)8-18-13(11)20-14(16)19-12/h1-6,8,17H,7H2,(H4,15,16,18,19,20)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
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
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135145
PNG
(6-[(3,4,5-Trichloro-phenylamino)-methyl]-pyrido[2,...)
Show SMILES Nc1nc(N)c2cc(CNc3cc(Cl)c(Cl)c(Cl)c3)cnc2n1
Show InChI InChI=1S/C14H11Cl3N6/c15-9-2-7(3-10(16)11(9)17)20-4-6-1-8-12(18)22-14(19)23-13(8)21-5-6/h1-3,5,20H,4H2,(H4,18,19,21,22,23)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135135
PNG
(6-(Naphthalen-2-ylaminomethyl)-pyrido[2,3-d]pyrimi...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc4ccccc4c3)cnc2n1
Show InChI InChI=1S/C18H16N6/c19-16-15-7-11(10-22-17(15)24-18(20)23-16)9-21-14-6-5-12-3-1-2-4-13(12)8-14/h1-8,10,21H,9H2,(H4,19,20,22,23,24)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135142
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)
Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135142
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-pyrido[2,3-...)
Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-10-3-4-13(24-2)12(6-10)19-7-9-5-11-14(17)21-16(18)22-15(11)20-8-9/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135141
PNG
(6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...)
Show SMILES Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)cnc2n1
Show InChI InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
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
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135140
PNG
(6-[(Methyl-phenyl-amino)-methyl]-pyrido[2,3-d]pyri...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1ccccc1
Show InChI InChI=1S/C15H16N6/c1-21(11-5-3-2-4-6-11)9-10-7-12-13(16)19-15(17)20-14(12)18-8-10/h2-8H,9H2,1H3,(H4,16,17,18,19,20)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
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 1.33E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135140
PNG
(6-[(Methyl-phenyl-amino)-methyl]-pyrido[2,3-d]pyri...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1ccccc1
Show InChI InChI=1S/C15H16N6/c1-21(11-5-3-2-4-6-11)9-10-7-12-13(16)19-15(17)20-14(12)18-8-10/h2-8H,9H2,1H3,(H4,16,17,18,19,20)
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n/an/a 3.95E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%