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PubMed code 10395486

Compile data set for download or QSAR
Found 75 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


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



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
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 (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
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 (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
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 (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50078470
PNG
(6-{[(4-Chloro-phenyl)-methyl-amino]-methyl}-5-meth...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN6/c1-9-10(8-23(2)12-5-3-11(17)4-6-12)7-20-15-13(9)14(18)21-16(19)22-15/h3-7H,8H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 5.40n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50078469
PNG
(6-{[(3-Methoxy-phenyl)-methyl-amino]-methyl}-5-met...)
Show SMILES COc1cccc(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C17H20N6O/c1-10-11(8-20-16-14(10)15(18)21-17(19)22-16)9-23(2)12-5-4-6-13(7-12)24-3/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 (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50078464
PNG
(6-[(2-Chloro-phenylamino)-methyl]-5-methyl-pyrido[...)
Show SMILES Cc1c(CNc2ccccc2Cl)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15ClN6/c1-8-9(6-19-11-5-3-2-4-10(11)16)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 7.10n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50078461
PNG
(6-{[(4-Methoxy-phenyl)-methyl-amino]-methyl}-5-met...)
Show SMILES COc1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C17H20N6O/c1-10-11(8-20-16-14(10)15(18)21-17(19)22-16)9-23(2)12-4-6-13(24-3)7-5-12/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 7.30n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50078466
PNG
(6-[(3-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...)
Show SMILES COc1cccc(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-4-3-5-12(6-11)23-2)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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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 (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


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



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
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 (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50078467
PNG
(6-[(4-Bromo-phenylamino)-methyl]-5-methyl-pyrido[2...)
Show SMILES Cc1c(CNc2ccc(Br)cc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15BrN6/c1-8-9(6-19-11-4-2-10(16)3-5-11)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 9.5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(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
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(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 11n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50078468
PNG
(6-[(3-Chloro-phenylamino)-methyl]-5-methyl-pyrido[...)
Show SMILES Cc1c(CNc2cccc(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15ClN6/c1-8-9(6-19-11-4-2-3-10(16)5-11)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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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 (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50042352
PNG
(5-Methyl-6-[(3,4,5-trichloro-phenylamino)-methyl]-...)
Show SMILES Cc1c(CNc2cc(Cl)c(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H13Cl3N6/c1-6-7(4-21-8-2-9(16)12(18)10(17)3-8)5-22-14-11(6)13(19)23-15(20)24-14/h2-3,5,21H,4H2,1H3,(H4,19,20,22,23,24)
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n/an/a 12n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50078465
PNG
(6-[(4-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1
Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-3-5-12(23-2)6-4-11)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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n/an/a 12n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50078461
PNG
(6-{[(4-Methoxy-phenyl)-methyl-amino]-methyl}-5-met...)
Show SMILES COc1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C17H20N6O/c1-10-11(8-20-16-14(10)15(18)21-17(19)22-16)9-23(2)12-4-6-13(24-3)7-5-12/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
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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 (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
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 (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50078472
PNG
(5-Methyl-6-phenylaminomethyl-pyrido[2,3-d]pyrimidi...)
Show SMILES Cc1c(CNc2ccccc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H16N6/c1-9-10(7-18-11-5-3-2-4-6-11)8-19-14-12(9)13(16)20-15(17)21-14/h2-6,8,18H,7H2,1H3,(H4,16,17,19,20,21)
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n/an/a 17n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50078469
PNG
(6-{[(3-Methoxy-phenyl)-methyl-amino]-methyl}-5-met...)
Show SMILES COc1cccc(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C17H20N6O/c1-10-11(8-20-16-14(10)15(18)21-17(19)22-16)9-23(2)12-5-4-6-13(7-12)24-3/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 18n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50078471
PNG
(6-{[(2-Chloro-phenyl)-methyl-amino]-methyl}-5-meth...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccccc1Cl
Show InChI InChI=1S/C16H17ClN6/c1-9-10(8-23(2)12-6-4-3-5-11(12)17)7-20-15-13(9)14(18)21-16(19)22-15/h3-7H,8H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 18n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50050420
PNG
(6-[(4-Chloro-phenylamino)-methyl]-5-methyl-pyrido[...)
Show SMILES Cc1c(CNc2ccc(Cl)cc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15ClN6/c1-8-9(6-19-11-4-2-10(16)3-5-11)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 19n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50078468
PNG
(6-[(3-Chloro-phenylamino)-methyl]-5-methyl-pyrido[...)
Show SMILES Cc1c(CNc2cccc(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15ClN6/c1-8-9(6-19-11-4-2-3-10(16)5-11)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 23n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50078463
PNG
(6-[(2-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...)
Show SMILES COc1ccccc1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-5-3-4-6-12(11)23-2)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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n/an/a 23n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50078470
PNG
(6-{[(4-Chloro-phenyl)-methyl-amino]-methyl}-5-meth...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN6/c1-9-10(8-23(2)12-5-3-11(17)4-6-12)7-20-15-13(9)14(18)21-16(19)22-15/h3-7H,8H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 26n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50031870
PNG
(6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-5-...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H16Cl2N6/c1-8-9(6-21-15-13(8)14(19)22-16(20)23-15)7-24(2)10-3-4-11(17)12(18)5-10/h3-6H,7H2,1-2H3,(H4,19,20,21,22,23)
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n/an/a 27n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50042351
PNG
(6-[(3,4-Dichloro-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES Cc1c(CNc2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H14Cl2N6/c1-7-8(5-20-9-2-3-10(16)11(17)4-9)6-21-14-12(7)13(18)22-15(19)23-14/h2-4,6,20H,5H2,1H3,(H4,18,19,21,22,23)
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n/an/a 28n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50078470
PNG
(6-{[(4-Chloro-phenyl)-methyl-amino]-methyl}-5-meth...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN6/c1-9-10(8-23(2)12-5-3-11(17)4-6-12)7-20-15-13(9)14(18)21-16(19)22-15/h3-7H,8H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 29n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50034934
PNG
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1OC
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-11-4-5-12(24-2)13(6-11)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 29n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50034940
PNG
(6-{[(3,4-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...)
Show SMILES COc1ccc(cc1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)12-5-6-13(25-3)14(7-12)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 29n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of dihydrofolate reductase(DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50078469
PNG
(6-{[(3-Methoxy-phenyl)-methyl-amino]-methyl}-5-met...)
Show SMILES COc1cccc(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C17H20N6O/c1-10-11(8-20-16-14(10)15(18)21-17(19)22-16)9-23(2)12-5-4-6-13(7-12)24-3/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 30n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50078462
PNG
(6-{[(4-Bromo-phenyl)-methyl-amino]-methyl}-5-methy...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C16H17BrN6/c1-9-10(8-23(2)12-5-3-11(17)4-6-12)7-20-15-13(9)14(18)21-16(19)22-15/h3-7H,8H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 30n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50034932
PNG
(6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...)
Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)13-7-12(25-3)5-6-14(13)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 30.1n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50042352
PNG
(5-Methyl-6-[(3,4,5-trichloro-phenylamino)-methyl]-...)
Show SMILES Cc1c(CNc2cc(Cl)c(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H13Cl3N6/c1-6-7(4-21-8-2-9(16)12(18)10(17)3-8)5-22-14-11(6)13(19)23-15(20)24-14/h2-3,5,21H,4H2,1H3,(H4,19,20,22,23,24)
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n/an/a 33n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50078467
PNG
(6-[(4-Bromo-phenylamino)-methyl]-5-methyl-pyrido[2...)
Show SMILES Cc1c(CNc2ccc(Br)cc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15BrN6/c1-8-9(6-19-11-4-2-10(16)3-5-11)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 34.9n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50078461
PNG
(6-{[(4-Methoxy-phenyl)-methyl-amino]-methyl}-5-met...)
Show SMILES COc1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C17H20N6O/c1-10-11(8-20-16-14(10)15(18)21-17(19)22-16)9-23(2)12-4-6-13(24-3)7-5-12/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 35n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50078462
PNG
(6-{[(4-Bromo-phenyl)-methyl-amino]-methyl}-5-methy...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C16H17BrN6/c1-9-10(8-23(2)12-5-3-11(17)4-6-12)7-20-15-13(9)14(18)21-16(19)22-15/h3-7H,8H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 36n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50042355
PNG
(5-Methyl-6-{[methyl-(3,4,5-trichloro-phenyl)-amino...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl3N6/c1-7-8(5-22-15-12(7)14(20)23-16(21)24-15)6-25(2)9-3-10(17)13(19)11(18)4-9/h3-5H,6H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a 36.3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50078468
PNG
(6-[(3-Chloro-phenylamino)-methyl]-5-methyl-pyrido[...)
Show SMILES Cc1c(CNc2cccc(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15ClN6/c1-8-9(6-19-11-4-2-3-10(16)5-11)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 37n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50078462
PNG
(6-{[(4-Bromo-phenyl)-methyl-amino]-methyl}-5-methy...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C16H17BrN6/c1-9-10(8-23(2)12-5-3-11(17)4-6-12)7-20-15-13(9)14(18)21-16(19)22-15/h3-7H,8H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 37n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
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 38n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Toxoplasma gondii)
BDBM50042355
PNG
(5-Methyl-6-{[methyl-(3,4,5-trichloro-phenyl)-amino...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl3N6/c1-7-8(5-22-15-12(7)14(20)23-16(21)24-15)6-25(2)9-3-10(17)13(19)11(18)4-9/h3-5H,6H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a 38.1n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50031870
PNG
(6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-5-...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H16Cl2N6/c1-8-9(6-21-15-13(8)14(19)22-16(20)23-15)7-24(2)10-3-4-11(17)12(18)5-10/h3-6H,7H2,1-2H3,(H4,19,20,21,22,23)
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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 (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
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 (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50034940
PNG
(6-{[(3,4-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...)
Show SMILES COc1ccc(cc1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)12-5-6-13(25-3)14(7-12)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 44n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of dihydrofolate reductase(DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50034934
PNG
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1OC
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-11-4-5-12(24-2)13(6-11)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 44n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50034934
PNG
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1OC
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-11-4-5-12(24-2)13(6-11)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 44n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50078464
PNG
(6-[(2-Chloro-phenylamino)-methyl]-5-methyl-pyrido[...)
Show SMILES Cc1c(CNc2ccccc2Cl)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15ClN6/c1-8-9(6-19-11-5-3-2-4-10(11)16)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 47n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050420
PNG
(6-[(4-Chloro-phenylamino)-methyl]-5-methyl-pyrido[...)
Show SMILES Cc1c(CNc2ccc(Cl)cc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15ClN6/c1-8-9(6-19-11-4-2-10(16)3-5-11)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 51n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50042351
PNG
(6-[(3,4-Dichloro-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES Cc1c(CNc2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H14Cl2N6/c1-7-8(5-20-9-2-3-10(16)11(17)4-9)6-21-14-12(7)13(18)22-15(19)23-14/h2-4,6,20H,5H2,1H3,(H4,18,19,21,22,23)
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n/an/a 53n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050420
PNG
(6-[(4-Chloro-phenylamino)-methyl]-5-methyl-pyrido[...)
Show SMILES Cc1c(CNc2ccc(Cl)cc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15ClN6/c1-8-9(6-19-11-4-2-10(16)3-5-11)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 55.4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50078465
PNG
(6-[(4-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1
Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-3-5-12(23-2)6-4-11)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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n/an/a 55.6n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50042352
PNG
(5-Methyl-6-[(3,4,5-trichloro-phenylamino)-methyl]-...)
Show SMILES Cc1c(CNc2cc(Cl)c(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H13Cl3N6/c1-6-7(4-21-8-2-9(16)12(18)10(17)3-8)5-22-14-11(6)13(19)23-15(20)24-14/h2-3,5,21H,4H2,1H3,(H4,19,20,22,23,24)
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n/an/a 63n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50078466
PNG
(6-[(3-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...)
Show SMILES COc1cccc(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-4-3-5-12(6-11)23-2)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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n/an/a 68.9n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50078472
PNG
(5-Methyl-6-phenylaminomethyl-pyrido[2,3-d]pyrimidi...)
Show SMILES Cc1c(CNc2ccccc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H16N6/c1-9-10(7-18-11-5-3-2-4-6-11)8-19-14-12(9)13(16)20-15(17)21-14/h2-6,8,18H,7H2,1H3,(H4,16,17,19,20,21)
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n/an/a 80n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50078466
PNG
(6-[(3-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...)
Show SMILES COc1cccc(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-4-3-5-12(6-11)23-2)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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n/an/a 80.1n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50078467
PNG
(6-[(4-Bromo-phenylamino)-methyl]-5-methyl-pyrido[2...)
Show SMILES Cc1c(CNc2ccc(Br)cc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15BrN6/c1-8-9(6-19-11-4-2-10(16)3-5-11)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 80.8n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50078471
PNG
(6-{[(2-Chloro-phenyl)-methyl-amino]-methyl}-5-meth...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccccc1Cl
Show InChI InChI=1S/C16H17ClN6/c1-9-10(8-23(2)12-6-4-3-5-11(12)17)7-20-15-13(9)14(18)21-16(19)22-15/h3-7H,8H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 84n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
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 (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50078464
PNG
(6-[(2-Chloro-phenylamino)-methyl]-5-methyl-pyrido[...)
Show SMILES Cc1c(CNc2ccccc2Cl)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15ClN6/c1-8-9(6-19-11-5-3-2-4-10(11)16)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 88n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50078465
PNG
(6-[(4-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1
Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-3-5-12(23-2)6-4-11)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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n/an/a 95.4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50078471
PNG
(6-{[(2-Chloro-phenyl)-methyl-amino]-methyl}-5-meth...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccccc1Cl
Show InChI InChI=1S/C16H17ClN6/c1-9-10(8-23(2)12-6-4-3-5-11(12)17)7-20-15-13(9)14(18)21-16(19)22-15/h3-7H,8H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 100n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50031870
PNG
(6-{[(3,4-Dichloro-phenyl)-methyl-amino]-methyl}-5-...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H16Cl2N6/c1-8-9(6-21-15-13(8)14(19)22-16(20)23-15)7-24(2)10-3-4-11(17)12(18)5-10/h3-6H,7H2,1-2H3,(H4,19,20,21,22,23)
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n/an/a 100n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50042355
PNG
(5-Methyl-6-{[methyl-(3,4,5-trichloro-phenyl)-amino...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl3N6/c1-7-8(5-22-15-12(7)14(20)23-16(21)24-15)6-25(2)9-3-10(17)13(19)11(18)4-9/h3-5H,6H2,1-2H3,(H4,20,21,22,23,24)
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n/an/a 105n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50078463
PNG
(6-[(2-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...)
Show SMILES COc1ccccc1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-5-3-4-6-12(11)23-2)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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n/an/a 117n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50078463
PNG
(6-[(2-Methoxy-phenylamino)-methyl]-5-methyl-pyrido...)
Show SMILES COc1ccccc1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H18N6O/c1-9-10(7-19-11-5-3-4-6-12(11)23-2)8-20-15-13(9)14(17)21-16(18)22-15/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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n/an/a 169n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50078472
PNG
(5-Methyl-6-phenylaminomethyl-pyrido[2,3-d]pyrimidi...)
Show SMILES Cc1c(CNc2ccccc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H16N6/c1-9-10(7-18-11-5-3-2-4-6-11)8-19-14-12(9)13(16)20-15(17)21-14/h2-6,8,18H,7H2,1H3,(H4,16,17,19,20,21)
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n/an/a 170n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50034932
PNG
(6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...)
Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)13-7-12(25-3)5-6-14(13)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 216n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50034940
PNG
(6-{[(3,4-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...)
Show SMILES COc1ccc(cc1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)12-5-6-13(25-3)14(7-12)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 320n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of dihydrofolate reductase(DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50042351
PNG
(6-[(3,4-Dichloro-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES Cc1c(CNc2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H14Cl2N6/c1-7-8(5-20-9-2-3-10(16)11(17)4-9)6-21-14-12(7)13(18)22-15(19)23-14/h2-4,6,20H,5H2,1H3,(H4,18,19,21,22,23)
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n/an/a 320n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50034932
PNG
(6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...)
Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)13-7-12(25-3)5-6-14(13)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 407n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(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
The compound was tested for inhibition of dihydrofolate reductase(DHFR) from Toxoplasma gondii(tg)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
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
The compound was tested for inhibition of dihydrofolate reductase(DHFR) from Pneumocystis carinii(pc)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
The compound was tested for inhibition of dihydrofolate reductase(DHFR) from rat liver (rl)


J Med Chem 42: 2447-55 (1999)


Article DOI: 10.1021/jm990079m
BindingDB Entry DOI: 10.7270/Q2833R62
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%