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PubMed code 8632434

Compile data set for download or QSAR
Found 198 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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase (DHFR)


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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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 5.20n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
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 5.40n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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 6.5n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050385
PNG
(6-[(4-Methoxy-2-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c(C)c1
Show InChI InChI=1S/C17H20N6O/c1-9-6-12(24-3)4-5-13(9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 7.20n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050417
PNG
(6-[2-(2,5-Dimethoxy-phenyl)-ethyl]-5-methyl-pyrido...)
Show SMILES COc1ccc(OC)c(CCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C18H21N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h6-9H,4-5H2,1-3H3,(H4,19,20,21,22,23)
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n/an/a 7.90n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034941
PNG
(6-[(2,4-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c(OC)c1
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-12-5-4-11(24-2)6-13(12)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 10n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50034938
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-12-6-11(24-2)4-5-13(12)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 10n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50034938
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-12-6-11(24-2)4-5-13(12)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 11n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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 13n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034938
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-12-6-11(24-2)4-5-13(12)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 14n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050389
PNG
(6-[(2-Methoxy-5-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(C)cc1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C17H20N6O/c1-9-4-5-13(24-3)12(6-9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 15n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050404
PNG
(6-[(2,5-Dimethyl-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES Cc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6/c1-9-4-5-10(2)13(6-9)20-7-12-8-21-16-14(11(12)3)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 16n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050409
PNG
(5-Methyl-6-{[methyl-(5,6,7,8-tetrahydro-naphthalen...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1cccc2CCCCc12
Show InChI InChI=1S/C20H24N6/c1-12-14(10-23-19-17(12)18(21)24-20(22)25-19)11-26(2)16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9-10H,3-4,6,8,11H2,1-2H3,(H4,21,22,23,24,25)
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n/an/a 16n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050411
PNG
(6-[(3-Methoxy-5-trifluoromethyl-phenylamino)-methy...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(c1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N6O/c1-8-9(7-24-15-13(8)14(21)25-16(22)26-15)6-23-11-3-10(17(18,19)20)4-12(5-11)27-2/h3-5,7,23H,6H2,1-2H3,(H4,21,22,24,25,26)
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n/an/a 17n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050411
PNG
(6-[(3-Methoxy-5-trifluoromethyl-phenylamino)-methy...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(c1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N6O/c1-8-9(7-24-15-13(8)14(21)25-16(22)26-15)6-23-11-3-10(17(18,19)20)4-12(5-11)27-2/h3-5,7,23H,6H2,1-2H3,(H4,21,22,24,25,26)
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n/an/a 18n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050411
PNG
(6-[(3-Methoxy-5-trifluoromethyl-phenylamino)-methy...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(c1)C(F)(F)F
Show InChI InChI=1S/C17H17F3N6O/c1-8-9(7-24-15-13(8)14(21)25-16(22)26-15)6-23-11-3-10(17(18,19)20)4-12(5-11)27-2/h3-5,7,23H,6H2,1-2H3,(H4,21,22,24,25,26)
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n/an/a 20n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050419
PNG
(6-[(2-Methoxy-5-trifluoromethyl-phenylamino)-methy...)
Show SMILES COc1ccc(cc1NCc1cnc2nc(N)nc(N)c2c1C)C(F)(F)F
Show InChI InChI=1S/C17H17F3N6O/c1-8-9(7-24-15-13(8)14(21)25-16(22)26-15)6-23-11-5-10(17(18,19)20)3-4-12(11)27-2/h3-5,7,23H,6H2,1-2H3,(H4,21,22,24,25,26)
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n/an/a 20n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034929
PNG
(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25)
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n/an/a 22n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050419
PNG
(6-[(2-Methoxy-5-trifluoromethyl-phenylamino)-methy...)
Show SMILES COc1ccc(cc1NCc1cnc2nc(N)nc(N)c2c1C)C(F)(F)F
Show InChI InChI=1S/C17H17F3N6O/c1-8-9(7-24-15-13(8)14(21)25-16(22)26-15)6-23-11-5-10(17(18,19)20)3-4-12(11)27-2/h3-5,7,23H,6H2,1-2H3,(H4,21,22,24,25,26)
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n/an/a 22n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050421
PNG
(6-[(4-Chloro-2-methyl-phenylamino)-methyl]-quinazo...)
Show SMILES Cc1cc(Cl)ccc1NCc1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C16H16ClN5/c1-9-6-11(17)3-5-13(9)20-8-10-2-4-14-12(7-10)15(18)22-16(19)21-14/h2-7,20H,8H2,1H3,(H4,18,19,21,22)
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n/an/a 23n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050410
PNG
(6-[(5-Methoxy-2-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6O/c1-9-4-5-12(24-3)6-13(9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 23n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050412
PNG
(5-Methyl-6-[(5,6,7,8-tetrahydro-naphthalen-1-ylami...)
Show SMILES Cc1c(CNc2cccc3CCCCc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H22N6/c1-11-13(10-23-18-16(11)17(20)24-19(21)25-18)9-22-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8,10,22H,2-3,5,7,9H2,1H3,(H4,20,21,23,24,25)
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n/an/a 26n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050401
PNG
(5-Methyl-6-(2-naphthalen-1-yl-ethyl)-pyrido[2,3-d]...)
Show SMILES Cc1c(CCc2cccc3ccccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C20H19N5/c1-12-15(11-23-19-17(12)18(21)24-20(22)25-19)10-9-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,11H,9-10H2,1H3,(H4,21,22,23,24,25)
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n/an/a 26n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050400
PNG
(6-(Naphthalen-1-ylaminomethyl)-quinazoline-2,4-dia...)
Show SMILES Nc1nc(N)c2cc(CNc3cccc4ccccc34)ccc2n1
Show InChI InChI=1S/C19H17N5/c20-18-15-10-12(8-9-17(15)23-19(21)24-18)11-22-16-7-3-5-13-4-1-2-6-14(13)16/h1-10,22H,11H2,(H4,20,21,23,24)
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n/an/a 27n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(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 28n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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 29n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050385
PNG
(6-[(4-Methoxy-2-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c(C)c1
Show InChI InChI=1S/C17H20N6O/c1-9-6-12(24-3)4-5-13(9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034931
PNG
(6-{[(2,5-Diethoxy-phenyl)-methyl-amino]-methyl}-5-...)
Show SMILES CCOc1ccc(OCC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C20H26N6O2/c1-5-27-14-7-8-16(28-6-2)15(9-14)26(4)11-13-10-23-19-17(12(13)3)18(21)24-20(22)25-19/h7-10H,5-6,11H2,1-4H3,(H4,21,22,23,24,25)
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n/an/a 29n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050425
PNG
(6-(3,4-Dimethoxy-phenylsulfanylmethyl)-5-methyl-py...)
Show SMILES COc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1OC
Show InChI InChI=1S/C17H19N5O2S/c1-9-10(7-20-16-14(9)15(18)21-17(19)22-16)8-25-11-4-5-12(23-2)13(6-11)24-3/h4-7H,8H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 30n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050404
PNG
(6-[(2,5-Dimethyl-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES Cc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6/c1-9-4-5-10(2)13(6-9)20-7-12-8-21-16-14(11(12)3)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 30n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050422
PNG
(5-Methyl-6-(naphthalen-1-ylsulfanylmethyl)-pyrido[...)
Show SMILES Cc1c(CSc2cccc3ccccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H17N5S/c1-11-13(9-22-18-16(11)17(20)23-19(21)24-18)10-25-15-8-4-6-12-5-2-3-7-14(12)15/h2-9H,10H2,1H3,(H4,20,21,22,23,24)
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n/an/a 30n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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 31n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50034933
PNG
(6-[(3,5-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-11-4-12(24-2)6-13(5-11)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 31n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(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 32n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050421
PNG
(6-[(4-Chloro-2-methyl-phenylamino)-methyl]-quinazo...)
Show SMILES Cc1cc(Cl)ccc1NCc1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C16H16ClN5/c1-9-6-11(17)3-5-13(9)20-8-10-2-4-14-12(7-10)15(18)22-16(19)21-14/h2-7,20H,8H2,1H3,(H4,18,19,21,22)
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n/an/a 33n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050390
PNG
(5-Methyl-6-phenylsulfanylmethyl-pyrido[2,3-d]pyrim...)
Show SMILES Cc1c(CSc2ccccc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15N5S/c1-9-10(8-21-11-5-3-2-4-6-11)7-18-14-12(9)13(16)19-15(17)20-14/h2-7H,8H2,1H3,(H4,16,17,18,19,20)
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n/an/a 34n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050403
PNG
(6-{[(2-Methoxy-5-trifluoromethyl-phenyl)-methyl-am...)
Show SMILES COc1ccc(cc1N(C)Cc1cnc2nc(N)nc(N)c2c1C)C(F)(F)F
Show InChI InChI=1S/C18H19F3N6O/c1-9-10(7-24-16-14(9)15(22)25-17(23)26-16)8-27(2)12-6-11(18(19,20)21)4-5-13(12)28-3/h4-7H,8H2,1-3H3,(H4,22,23,24,25,26)
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n/an/a 38n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050410
PNG
(6-[(5-Methoxy-2-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6O/c1-9-4-5-12(24-3)6-13(9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 38n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050419
PNG
(6-[(2-Methoxy-5-trifluoromethyl-phenylamino)-methy...)
Show SMILES COc1ccc(cc1NCc1cnc2nc(N)nc(N)c2c1C)C(F)(F)F
Show InChI InChI=1S/C17H17F3N6O/c1-8-9(7-24-15-13(8)14(21)25-16(22)26-15)6-23-11-5-10(17(18,19)20)3-4-12(11)27-2/h3-5,7,23H,6H2,1-2H3,(H4,21,22,24,25,26)
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n/an/a 44n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50034933
PNG
(6-[(3,5-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-11-4-12(24-2)6-13(5-11)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 49n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50034930
PNG
(6-{[(3,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...)
Show SMILES COc1cc(OC)cc(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)12-5-13(25-3)7-14(6-12)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 50n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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 51n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034935
PNG
(6-{[(2,4-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...)
Show SMILES COc1ccc(N(C)Cc2cnc3nc(N)nc(N)c3c2C)c(OC)c1
Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)13-6-5-12(25-3)7-14(13)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 53n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050400
PNG
(6-(Naphthalen-1-ylaminomethyl)-quinazoline-2,4-dia...)
Show SMILES Nc1nc(N)c2cc(CNc3cccc4ccccc34)ccc2n1
Show InChI InChI=1S/C19H17N5/c20-18-15-10-12(8-9-17(15)23-19(21)24-18)11-22-16-7-3-5-13-4-1-2-6-14(13)16/h1-10,22H,11H2,(H4,20,21,23,24)
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n/an/a 55n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050415
PNG
(5-Methyl-6-p-tolylsulfanylmethyl-pyrido[2,3-d]pyri...)
Show SMILES Cc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1
Show InChI InChI=1S/C16H17N5S/c1-9-3-5-12(6-4-9)22-8-11-7-19-15-13(10(11)2)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 57n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50034941
PNG
(6-[(2,4-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c(OC)c1
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-12-5-4-11(24-2)6-13(12)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 61n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050401
PNG
(5-Methyl-6-(2-naphthalen-1-yl-ethyl)-pyrido[2,3-d]...)
Show SMILES Cc1c(CCc2cccc3ccccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C20H19N5/c1-12-15(11-23-19-17(12)18(21)24-20(22)25-19)10-9-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,11H,9-10H2,1H3,(H4,21,22,23,24,25)
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n/an/a 64n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050392
PNG
(5-Methyl-6-m-tolylsulfanylmethyl-pyrido[2,3-d]pyri...)
Show SMILES Cc1cccc(SCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H17N5S/c1-9-4-3-5-12(6-9)22-8-11-7-19-15-13(10(11)2)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 65n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050389
PNG
(6-[(2-Methoxy-5-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(C)cc1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C17H20N6O/c1-9-4-5-13(24-3)12(6-9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 68n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050393
PNG
(6-(3-Chloro-phenylsulfanylmethyl)-5-methyl-pyrido[...)
Show SMILES Cc1c(CSc2cccc(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H14ClN5S/c1-8-9(7-22-11-4-2-3-10(16)5-11)6-19-14-12(8)13(17)20-15(18)21-14/h2-6H,7H2,1H3,(H4,17,18,19,20,21)
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n/an/a 68n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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 72n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050407
PNG
(6-[(4-Chloro-phenylamino)-methyl]-quinazoline-2,4-...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C15H14ClN5/c16-10-2-4-11(5-3-10)19-8-9-1-6-13-12(7-9)14(17)21-15(18)20-13/h1-7,19H,8H2,(H4,17,18,20,21)
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n/an/a 73n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050407
PNG
(6-[(4-Chloro-phenylamino)-methyl]-quinazoline-2,4-...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C15H14ClN5/c16-10-2-4-11(5-3-10)19-8-9-1-6-13-12(7-9)14(17)21-15(18)20-13/h1-7,19H,8H2,(H4,17,18,20,21)
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n/an/a 75n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050426
PNG
(6-(Naphthalen-1-ylaminomethyl)-pteridine-2,4-diami...)
Show SMILES Nc1nc(N)c2nc(CNc3cccc4ccccc34)cnc2n1
Show InChI InChI=1S/C17H15N7/c18-15-14-16(24-17(19)23-15)21-9-11(22-14)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H4,18,19,21,23,24)
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n/an/a 76n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050393
PNG
(6-(3-Chloro-phenylsulfanylmethyl)-5-methyl-pyrido[...)
Show SMILES Cc1c(CSc2cccc(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H14ClN5S/c1-8-9(7-22-11-4-2-3-10(16)5-11)6-19-14-12(8)13(17)20-15(18)21-14/h2-6H,7H2,1H3,(H4,17,18,19,20,21)
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n/an/a 90n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050397
PNG
(6-(4-Chloro-phenylsulfanylmethyl)-5-methyl-pyrido[...)
Show SMILES Cc1c(CSc2ccc(Cl)cc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H14ClN5S/c1-8-9(7-22-11-4-2-10(16)3-5-11)6-19-14-12(8)13(17)20-15(18)21-14/h2-6H,7H2,1H3,(H4,17,18,19,20,21)
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n/an/a 90n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50034941
PNG
(6-[(2,4-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c(OC)c1
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-12-5-4-11(24-2)6-13(12)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 91n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050403
PNG
(6-{[(2-Methoxy-5-trifluoromethyl-phenyl)-methyl-am...)
Show SMILES COc1ccc(cc1N(C)Cc1cnc2nc(N)nc(N)c2c1C)C(F)(F)F
Show InChI InChI=1S/C18H19F3N6O/c1-9-10(7-24-16-14(9)15(22)25-17(23)26-16)8-27(2)12-6-11(18(19,20)21)4-5-13(12)28-3/h4-7H,8H2,1-3H3,(H4,22,23,24,25,26)
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n/an/a 93n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050412
PNG
(5-Methyl-6-[(5,6,7,8-tetrahydro-naphthalen-1-ylami...)
Show SMILES Cc1c(CNc2cccc3CCCCc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H22N6/c1-11-13(10-23-18-16(11)17(20)24-19(21)25-18)9-22-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8,10,22H,2-3,5,7,9H2,1H3,(H4,20,21,23,24,25)
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n/an/a 100n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050399
PNG
(6-[(2-Methoxy-6-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1cccc(C)c1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C17H20N6O/c1-9-5-4-6-12(24-3)14(9)20-7-11-8-21-16-13(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 100n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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 110n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50034928
PNG
(5-Methyl-6-(naphthalen-1-ylaminomethyl)-pyrido[2,3...)
Show SMILES Cc1c(CNc2cccc3ccccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H18N6/c1-11-13(10-23-18-16(11)17(20)24-19(21)25-18)9-22-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,10,22H,9H2,1H3,(H4,20,21,23,24,25)
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n/an/a 110n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050388
PNG
(6-[(3,5-Dimethoxy-phenylamino)-methyl]-pteridine-2...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(OC)c1
Show InChI InChI=1S/C15H17N7O2/c1-23-10-3-8(4-11(5-10)24-2)18-6-9-7-19-14-12(20-9)13(16)21-15(17)22-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,21,22)
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n/an/a 110n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050405
PNG
(6-(3-Methoxy-phenylsulfanylmethyl)-5-methyl-pyrido...)
Show SMILES COc1cccc(SCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H17N5OS/c1-9-10(8-23-12-5-3-4-11(6-12)22-2)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 110n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050404
PNG
(6-[(2,5-Dimethyl-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES Cc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6/c1-9-4-5-10(2)13(6-9)20-7-12-8-21-16-14(11(12)3)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 120n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50034929
PNG
(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25)
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n/an/a 125n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
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 130n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050412
PNG
(5-Methyl-6-[(5,6,7,8-tetrahydro-naphthalen-1-ylami...)
Show SMILES Cc1c(CNc2cccc3CCCCc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H22N6/c1-11-13(10-23-18-16(11)17(20)24-19(21)25-18)9-22-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8,10,22H,2-3,5,7,9H2,1H3,(H4,20,21,23,24,25)
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n/an/a 130n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050426
PNG
(6-(Naphthalen-1-ylaminomethyl)-pteridine-2,4-diami...)
Show SMILES Nc1nc(N)c2nc(CNc3cccc4ccccc34)cnc2n1
Show InChI InChI=1S/C17H15N7/c18-15-14-16(24-17(19)23-15)21-9-11(22-14)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H4,18,19,21,23,24)
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n/an/a 130n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050401
PNG
(5-Methyl-6-(2-naphthalen-1-yl-ethyl)-pyrido[2,3-d]...)
Show SMILES Cc1c(CCc2cccc3ccccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C20H19N5/c1-12-15(11-23-19-17(12)18(21)24-20(22)25-19)10-9-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,11H,9-10H2,1H3,(H4,21,22,23,24,25)
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n/an/a 135n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050409
PNG
(5-Methyl-6-{[methyl-(5,6,7,8-tetrahydro-naphthalen...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1cccc2CCCCc12
Show InChI InChI=1S/C20H24N6/c1-12-14(10-23-19-17(12)18(21)24-20(22)25-19)11-26(2)16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9-10H,3-4,6,8,11H2,1-2H3,(H4,21,22,23,24,25)
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n/an/a 140n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050414
PNG
(6-((2,5-dimethoxyphenylamino)methyl)quinazoline-2,...)
Show SMILES COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C17H19N5O2/c1-23-11-4-6-15(24-2)14(8-11)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)
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n/an/a 140n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
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 150n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050425
PNG
(6-(3,4-Dimethoxy-phenylsulfanylmethyl)-5-methyl-py...)
Show SMILES COc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1OC
Show InChI InChI=1S/C17H19N5O2S/c1-9-10(7-20-16-14(9)15(18)21-17(19)22-16)8-25-11-4-5-12(23-2)13(6-11)24-3/h4-7H,8H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 150n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050409
PNG
(5-Methyl-6-{[methyl-(5,6,7,8-tetrahydro-naphthalen...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1cccc2CCCCc12
Show InChI InChI=1S/C20H24N6/c1-12-14(10-23-19-17(12)18(21)24-20(22)25-19)11-26(2)16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9-10H,3-4,6,8,11H2,1-2H3,(H4,21,22,23,24,25)
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n/an/a 150n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050410
PNG
(6-[(5-Methoxy-2-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6O/c1-9-4-5-12(24-3)6-13(9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 150n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050389
PNG
(6-[(2-Methoxy-5-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(C)cc1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C17H20N6O/c1-9-4-5-13(24-3)12(6-9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 160n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50034931
PNG
(6-{[(2,5-Diethoxy-phenyl)-methyl-amino]-methyl}-5-...)
Show SMILES CCOc1ccc(OCC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C20H26N6O2/c1-5-27-14-7-8-16(28-6-2)15(9-14)26(4)11-13-10-23-19-17(12(13)3)18(21)24-20(22)25-19/h7-10H,5-6,11H2,1-4H3,(H4,21,22,23,24,25)
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n/an/a 167n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050392
PNG
(5-Methyl-6-m-tolylsulfanylmethyl-pyrido[2,3-d]pyri...)
Show SMILES Cc1cccc(SCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H17N5S/c1-9-4-3-5-12(6-9)22-8-11-7-19-15-13(10(11)2)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 170n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050385
PNG
(6-[(4-Methoxy-2-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)c(C)c1
Show InChI InChI=1S/C17H20N6O/c1-9-6-12(24-3)4-5-13(9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 170n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050425
PNG
(6-(3,4-Dimethoxy-phenylsulfanylmethyl)-5-methyl-py...)
Show SMILES COc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1OC
Show InChI InChI=1S/C17H19N5O2S/c1-9-10(7-20-16-14(9)15(18)21-17(19)22-16)8-25-11-4-5-12(23-2)13(6-11)24-3/h4-7H,8H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 180n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050393
PNG
(6-(3-Chloro-phenylsulfanylmethyl)-5-methyl-pyrido[...)
Show SMILES Cc1c(CSc2cccc(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H14ClN5S/c1-8-9(7-22-11-4-2-3-10(16)5-11)6-19-14-12(8)13(17)20-15(18)21-14/h2-6H,7H2,1H3,(H4,17,18,19,20,21)
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n/an/a 190n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050400
PNG
(6-(Naphthalen-1-ylaminomethyl)-quinazoline-2,4-dia...)
Show SMILES Nc1nc(N)c2cc(CNc3cccc4ccccc34)ccc2n1
Show InChI InChI=1S/C19H17N5/c20-18-15-10-12(8-9-17(15)23-19(21)24-18)11-22-16-7-3-5-13-4-1-2-6-14(13)16/h1-10,22H,11H2,(H4,20,21,23,24)
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n/an/a 210n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050384
PNG
(6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-p...)
Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H19N7O2/c1-23(11-6-10(24-2)4-5-12(11)25-3)8-9-7-19-15-13(20-9)14(17)21-16(18)22-15/h4-7H,8H2,1-3H3,(H4,17,18,19,21,22)
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n/an/a 210n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50034928
PNG
(5-Methyl-6-(naphthalen-1-ylaminomethyl)-pyrido[2,3...)
Show SMILES Cc1c(CNc2cccc3ccccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H18N6/c1-11-13(10-23-18-16(11)17(20)24-19(21)25-18)9-22-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,10,22H,9H2,1H3,(H4,20,21,23,24,25)
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n/an/a 220n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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 230n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050403
PNG
(6-{[(2-Methoxy-5-trifluoromethyl-phenyl)-methyl-am...)
Show SMILES COc1ccc(cc1N(C)Cc1cnc2nc(N)nc(N)c2c1C)C(F)(F)F
Show InChI InChI=1S/C18H19F3N6O/c1-9-10(7-24-16-14(9)15(22)25-17(23)26-16)8-27(2)12-6-11(18(19,20)21)4-5-13(12)28-3/h4-7H,8H2,1-3H3,(H4,22,23,24,25,26)
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n/an/a 230n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50034935
PNG
(6-{[(2,4-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...)
Show SMILES COc1ccc(N(C)Cc2cnc3nc(N)nc(N)c3c2C)c(OC)c1
Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)13-6-5-12(25-3)7-14(13)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 230n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50034928
PNG
(5-Methyl-6-(naphthalen-1-ylaminomethyl)-pyrido[2,3...)
Show SMILES Cc1c(CNc2cccc3ccccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H18N6/c1-11-13(10-23-18-16(11)17(20)24-19(21)25-18)9-22-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,10,22H,9H2,1H3,(H4,20,21,23,24,25)
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n/an/a 240n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
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 260n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050422
PNG
(5-Methyl-6-(naphthalen-1-ylsulfanylmethyl)-pyrido[...)
Show SMILES Cc1c(CSc2cccc3ccccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H17N5S/c1-11-13(9-22-18-16(11)17(20)23-19(21)24-18)10-25-15-8-4-6-12-5-2-3-7-14(12)15/h2-9H,10H2,1H3,(H4,20,21,22,23,24)
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n/an/a 290n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050383
PNG
(6-[(4-Chloro-phenylamino)-methyl]-pyrido[2,3-d]pyr...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc(Cl)cc3)cnc2n1
Show InChI InChI=1S/C14H13ClN6/c15-9-1-3-10(4-2-9)18-6-8-5-11-12(16)20-14(17)21-13(11)19-7-8/h1-5,7,18H,6H2,(H4,16,17,19,20,21)
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n/an/a 300n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050428
PNG
(6-[(4-Chloro-phenylamino)-methyl]-pteridine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(Cl)cc3)cnc2n1
Show InChI InChI=1S/C13H12ClN7/c14-7-1-3-8(4-2-7)17-5-9-6-18-12-10(19-9)11(15)20-13(16)21-12/h1-4,6,17H,5H2,(H4,15,16,18,20,21)
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n/an/a 300n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050399
PNG
(6-[(2-Methoxy-6-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1cccc(C)c1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C17H20N6O/c1-9-5-4-6-12(24-3)14(9)20-7-11-8-21-16-13(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 320n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050392
PNG
(5-Methyl-6-m-tolylsulfanylmethyl-pyrido[2,3-d]pyri...)
Show SMILES Cc1cccc(SCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H17N5S/c1-9-4-3-5-12(6-9)22-8-11-7-19-15-13(10(11)2)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 330n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050421
PNG
(6-[(4-Chloro-2-methyl-phenylamino)-methyl]-quinazo...)
Show SMILES Cc1cc(Cl)ccc1NCc1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C16H16ClN5/c1-9-6-11(17)3-5-13(9)20-8-10-2-4-14-12(7-10)15(18)22-16(19)21-14/h2-7,20H,8H2,1H3,(H4,18,19,21,22)
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n/an/a 330n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050405
PNG
(6-(3-Methoxy-phenylsulfanylmethyl)-5-methyl-pyrido...)
Show SMILES COc1cccc(SCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H17N5OS/c1-9-10(8-23-12-5-3-4-11(6-12)22-2)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 340n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050417
PNG
(6-[2-(2,5-Dimethoxy-phenyl)-ethyl]-5-methyl-pyrido...)
Show SMILES COc1ccc(OC)c(CCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C18H21N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h6-9H,4-5H2,1-3H3,(H4,19,20,21,22,23)
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n/an/a 340n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50034935
PNG
(6-{[(2,4-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...)
Show SMILES COc1ccc(N(C)Cc2cnc3nc(N)nc(N)c3c2C)c(OC)c1
Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)13-6-5-12(25-3)7-14(13)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 350n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050397
PNG
(6-(4-Chloro-phenylsulfanylmethyl)-5-methyl-pyrido[...)
Show SMILES Cc1c(CSc2ccc(Cl)cc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H14ClN5S/c1-8-9(7-22-11-4-2-10(16)3-5-11)6-19-14-12(8)13(17)20-15(18)21-14/h2-6H,7H2,1H3,(H4,17,18,19,20,21)
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n/an/a 360n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050397
PNG
(6-(4-Chloro-phenylsulfanylmethyl)-5-methyl-pyrido[...)
Show SMILES Cc1c(CSc2ccc(Cl)cc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H14ClN5S/c1-8-9(7-22-11-4-2-10(16)3-5-11)6-19-14-12(8)13(17)20-15(18)21-14/h2-6H,7H2,1H3,(H4,17,18,19,20,21)
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n/an/a 370n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50034929
PNG
(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25)
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n/an/a 370n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM18512
PNG
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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n/an/a 390n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050390
PNG
(5-Methyl-6-phenylsulfanylmethyl-pyrido[2,3-d]pyrim...)
Show SMILES Cc1c(CSc2ccccc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15N5S/c1-9-10(8-21-11-5-3-2-4-6-11)7-18-14-12(9)13(16)19-15(17)20-14/h2-7H,8H2,1H3,(H4,16,17,18,19,20)
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n/an/a 430n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050390
PNG
(5-Methyl-6-phenylsulfanylmethyl-pyrido[2,3-d]pyrim...)
Show SMILES Cc1c(CSc2ccccc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15N5S/c1-9-10(8-21-11-5-3-2-4-6-11)7-18-14-12(9)13(16)19-15(17)20-14/h2-7H,8H2,1H3,(H4,16,17,18,19,20)
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n/an/a 440n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050429
PNG
(6-[(5-Methoxy-2-methyl-phenylamino)-methyl]-pterid...)
Show SMILES COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C15H17N7O/c1-8-3-4-10(23-2)5-11(8)18-6-9-7-19-14-12(20-9)13(16)21-15(17)22-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,21,22)
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n/an/a 440n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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 460n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050414
PNG
(6-((2,5-dimethoxyphenylamino)methyl)quinazoline-2,...)
Show SMILES COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C17H19N5O2/c1-23-11-4-6-15(24-2)14(8-11)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)
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n/an/a 460n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050384
PNG
(6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-p...)
Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H19N7O2/c1-23(11-6-10(24-2)4-5-12(11)25-3)8-9-7-19-15-13(20-9)14(17)21-16(18)22-15/h4-7H,8H2,1-3H3,(H4,17,18,19,21,22)
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n/an/a 470n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050415
PNG
(5-Methyl-6-p-tolylsulfanylmethyl-pyrido[2,3-d]pyri...)
Show SMILES Cc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1
Show InChI InChI=1S/C16H17N5S/c1-9-3-5-12(6-4-9)22-8-11-7-19-15-13(10(11)2)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 500n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50034931
PNG
(6-{[(2,5-Diethoxy-phenyl)-methyl-amino]-methyl}-5-...)
Show SMILES CCOc1ccc(OCC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C20H26N6O2/c1-5-27-14-7-8-16(28-6-2)15(9-14)26(4)11-13-10-23-19-17(12(13)3)18(21)24-20(22)25-19/h7-10H,5-6,11H2,1-4H3,(H4,21,22,23,24,25)
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n/an/a 530n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050415
PNG
(5-Methyl-6-p-tolylsulfanylmethyl-pyrido[2,3-d]pyri...)
Show SMILES Cc1ccc(SCc2cnc3nc(N)nc(N)c3c2C)cc1
Show InChI InChI=1S/C16H17N5S/c1-9-3-5-12(6-4-9)22-8-11-7-19-15-13(10(11)2)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 530n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050422
PNG
(5-Methyl-6-(naphthalen-1-ylsulfanylmethyl)-pyrido[...)
Show SMILES Cc1c(CSc2cccc3ccccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H17N5S/c1-11-13(9-22-18-16(11)17(20)23-19(21)24-18)10-25-15-8-4-6-12-5-2-3-7-14(12)15/h2-9H,10H2,1H3,(H4,20,21,22,23,24)
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n/an/a 550n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050428
PNG
(6-[(4-Chloro-phenylamino)-methyl]-pteridine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(Cl)cc3)cnc2n1
Show InChI InChI=1S/C13H12ClN7/c14-7-1-3-8(4-2-7)17-5-9-6-18-12-10(19-9)11(15)20-13(16)21-12/h1-4,6,17H,5H2,(H4,15,16,18,20,21)
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n/an/a 590n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050405
PNG
(6-(3-Methoxy-phenylsulfanylmethyl)-5-methyl-pyrido...)
Show SMILES COc1cccc(SCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H17N5OS/c1-9-10(8-23-12-5-3-4-11(6-12)22-2)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 600n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050407
PNG
(6-[(4-Chloro-phenylamino)-methyl]-quinazoline-2,4-...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C15H14ClN5/c16-10-2-4-11(5-3-10)19-8-9-1-6-13-12(7-9)14(17)21-15(18)20-13/h1-7,19H,8H2,(H4,17,18,20,21)
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n/an/a 600n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050394
PNG
(6-[(3-Methoxy-5-trifluoromethyl-phenylamino)-methy...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H14F3N7O/c1-26-10-3-7(15(16,17)18)2-8(4-10)21-5-9-6-22-13-11(23-9)12(19)24-14(20)25-13/h2-4,6,21H,5H2,1H3,(H4,19,20,22,24,25)
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n/an/a 680n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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 700n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050383
PNG
(6-[(4-Chloro-phenylamino)-methyl]-pyrido[2,3-d]pyr...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc(Cl)cc3)cnc2n1
Show InChI InChI=1S/C14H13ClN6/c15-9-1-3-10(4-2-9)18-6-8-5-11-12(16)20-14(17)21-13(11)19-7-8/h1-5,7,18H,6H2,(H4,16,17,19,20,21)
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n/an/a 720n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050414
PNG
(6-((2,5-dimethoxyphenylamino)methyl)quinazoline-2,...)
Show SMILES COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2)c1
Show InChI InChI=1S/C17H19N5O2/c1-23-11-4-6-15(24-2)14(8-11)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)
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n/an/a 750n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050417
PNG
(6-[2-(2,5-Dimethoxy-phenyl)-ethyl]-5-methyl-pyrido...)
Show SMILES COc1ccc(OC)c(CCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C18H21N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h6-9H,4-5H2,1-3H3,(H4,19,20,21,22,23)
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n/an/a 770n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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 810n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050418
PNG
(6-(2-Naphthalen-1-yl-ethyl)-pteridine-2,4-diamine ...)
Show SMILES Nc1nc(N)c2nc(CCc3cccc4ccccc34)cnc2n1
Show InChI InChI=1S/C18H16N6/c19-16-15-17(24-18(20)23-16)21-10-13(22-15)9-8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,10H,8-9H2,(H4,19,20,21,23,24)
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n/an/a 820n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050388
PNG
(6-[(3,5-Dimethoxy-phenylamino)-methyl]-pteridine-2...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(OC)c1
Show InChI InChI=1S/C15H17N7O2/c1-23-10-3-8(4-11(5-10)24-2)18-6-9-7-19-14-12(20-9)13(16)21-15(17)22-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,21,22)
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n/an/a 880n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050394
PNG
(6-[(3-Methoxy-5-trifluoromethyl-phenylamino)-methy...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H14F3N7O/c1-26-10-3-7(15(16,17)18)2-8(4-10)21-5-9-6-22-13-11(23-9)12(19)24-14(20)25-13/h2-4,6,21H,5H2,1H3,(H4,19,20,22,24,25)
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n/an/a 890n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050388
PNG
(6-[(3,5-Dimethoxy-phenylamino)-methyl]-pteridine-2...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(OC)c1
Show InChI InChI=1S/C15H17N7O2/c1-23-10-3-8(4-11(5-10)24-2)18-6-9-7-19-14-12(20-9)13(16)21-15(17)22-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,21,22)
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n/an/a 960n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050383
PNG
(6-[(4-Chloro-phenylamino)-methyl]-pyrido[2,3-d]pyr...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc(Cl)cc3)cnc2n1
Show InChI InChI=1S/C14H13ClN6/c15-9-1-3-10(4-2-9)18-6-8-5-11-12(16)20-14(17)21-13(11)19-7-8/h1-5,7,18H,6H2,(H4,16,17,19,20,21)
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n/an/a 970n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050399
PNG
(6-[(2-Methoxy-6-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1cccc(C)c1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C17H20N6O/c1-9-5-4-6-12(24-3)14(9)20-7-11-8-21-16-13(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050413
PNG
(6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pteridin...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C16H19N7O3/c1-24-10-4-8(5-11(25-2)13(10)26-3)19-6-9-7-20-15-12(21-9)14(17)22-16(18)23-15/h4-5,7,19H,6H2,1-3H3,(H4,17,18,20,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050426
PNG
(6-(Naphthalen-1-ylaminomethyl)-pteridine-2,4-diami...)
Show SMILES Nc1nc(N)c2nc(CNc3cccc4ccccc34)cnc2n1
Show InChI InChI=1S/C17H15N7/c18-15-14-16(24-17(19)23-15)21-9-11(22-14)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H4,18,19,21,23,24)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050428
PNG
(6-[(4-Chloro-phenylamino)-methyl]-pteridine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(Cl)cc3)cnc2n1
Show InChI InChI=1S/C13H12ClN7/c14-7-1-3-8(4-2-7)17-5-9-6-18-12-10(19-9)11(15)20-13(16)21-12/h1-4,6,17H,5H2,(H4,15,16,18,20,21)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050406
PNG
(6-(3-Methoxy-phenylsulfanylmethyl)-pteridine-2,4-d...)
Show SMILES COc1cccc(SCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C14H14N6OS/c1-21-9-3-2-4-10(5-9)22-7-8-6-17-13-11(18-8)12(15)19-14(16)20-13/h2-6H,7H2,1H3,(H4,15,16,17,19,20)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050382
PNG
(6-m-Tolylsulfanylmethyl-pteridine-2,4-diamine | CH...)
Show SMILES Cc1cccc(SCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C14H14N6S/c1-8-3-2-4-10(5-8)21-7-9-6-17-13-11(18-9)12(15)19-14(16)20-13/h2-6H,7H2,1H3,(H4,15,16,17,19,20)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050423
PNG
(6-[(2-Methoxy-6-methyl-phenylamino)-methyl]-pterid...)
Show SMILES COc1cccc(C)c1NCc1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C15H17N7O/c1-8-4-3-5-10(23-2)11(8)18-6-9-7-19-14-12(20-9)13(16)21-15(17)22-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,21,22)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050394
PNG
(6-[(3-Methoxy-5-trifluoromethyl-phenylamino)-methy...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H14F3N7O/c1-26-10-3-7(15(16,17)18)2-8(4-10)21-5-9-6-22-13-11(23-9)12(19)24-14(20)25-13/h2-4,6,21H,5H2,1H3,(H4,19,20,22,24,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050413
PNG
(6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pteridin...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C16H19N7O3/c1-24-10-4-8(5-11(25-2)13(10)26-3)19-6-9-7-20-15-12(21-9)14(17)22-16(18)23-15/h4-5,7,19H,6H2,1-3H3,(H4,17,18,20,22,23)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
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 2.00E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM18512
PNG
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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 2.73E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050429
PNG
(6-[(5-Methoxy-2-methyl-phenylamino)-methyl]-pterid...)
Show SMILES COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C15H17N7O/c1-8-3-4-10(23-2)5-11(8)18-6-9-7-19-14-12(20-9)13(16)21-15(17)22-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,21,22)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050429
PNG
(6-[(5-Methoxy-2-methyl-phenylamino)-methyl]-pterid...)
Show SMILES COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C15H17N7O/c1-8-3-4-10(23-2)5-11(8)18-6-9-7-19-14-12(20-9)13(16)21-15(17)22-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,21,22)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM18512
PNG
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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n/an/a 3.65E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050384
PNG
(6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-p...)
Show SMILES COc1ccc(OC)c(c1)N(C)Cc1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C16H19N7O2/c1-23(11-6-10(24-2)4-5-12(11)25-3)8-9-7-19-15-13(20-9)14(17)21-16(18)22-15/h4-7H,8H2,1-3H3,(H4,17,18,19,21,22)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050396
PNG
(6-(Naphthalen-1-ylsulfanylmethyl)-pteridine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CSc3cccc4ccccc34)cnc2n1
Show InChI InChI=1S/C17H14N6S/c18-15-14-16(23-17(19)22-15)20-8-11(21-14)9-24-13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,9H2,(H4,18,19,20,22,23)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050424
PNG
(6-[2-(2,5-Dimethoxy-phenyl)-ethyl]-pteridine-2,4-d...)
Show SMILES COc1ccc(OC)c(CCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-11-5-6-12(24-2)9(7-11)3-4-10-8-19-15-13(20-10)14(17)21-16(18)22-15/h5-8H,3-4H2,1-2H3,(H4,17,18,19,21,22)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050402
PNG
(6-(3-Chloro-phenylsulfanylmethyl)-pteridine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CSc3cccc(Cl)c3)cnc2n1
Show InChI InChI=1S/C13H11ClN6S/c14-7-2-1-3-9(4-7)21-6-8-5-17-12-10(18-8)11(15)19-13(16)20-12/h1-5H,6H2,(H4,15,16,17,19,20)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050423
PNG
(6-[(2-Methoxy-6-methyl-phenylamino)-methyl]-pterid...)
Show SMILES COc1cccc(C)c1NCc1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C15H17N7O/c1-8-4-3-5-10(23-2)11(8)18-6-9-7-19-14-12(20-9)13(16)21-15(17)22-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,21,22)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050395
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-pteridine-2...)
Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C15H17N7O2/c1-23-9-3-4-11(24-2)10(5-9)18-6-8-7-19-14-12(20-8)13(16)21-15(17)22-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,21,22)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050395
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-pteridine-2...)
Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C15H17N7O2/c1-23-9-3-4-11(24-2)10(5-9)18-6-8-7-19-14-12(20-8)13(16)21-15(17)22-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,21,22)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050396
PNG
(6-(Naphthalen-1-ylsulfanylmethyl)-pteridine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CSc3cccc4ccccc34)cnc2n1
Show InChI InChI=1S/C17H14N6S/c18-15-14-16(23-17(19)22-15)20-8-11(21-14)9-24-13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,9H2,(H4,18,19,20,22,23)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050413
PNG
(6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-pteridin...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C16H19N7O3/c1-24-10-4-8(5-11(25-2)13(10)26-3)19-6-9-7-20-15-12(21-9)14(17)22-16(18)23-15/h4-5,7,19H,6H2,1-3H3,(H4,17,18,20,22,23)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050406
PNG
(6-(3-Methoxy-phenylsulfanylmethyl)-pteridine-2,4-d...)
Show SMILES COc1cccc(SCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C14H14N6OS/c1-21-9-3-2-4-10(5-9)22-7-8-6-17-13-11(18-8)12(15)19-14(16)20-13/h2-6H,7H2,1H3,(H4,15,16,17,19,20)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050396
PNG
(6-(Naphthalen-1-ylsulfanylmethyl)-pteridine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CSc3cccc4ccccc34)cnc2n1
Show InChI InChI=1S/C17H14N6S/c18-15-14-16(23-17(19)22-15)20-8-11(21-14)9-24-13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,9H2,(H4,18,19,20,22,23)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050382
PNG
(6-m-Tolylsulfanylmethyl-pteridine-2,4-diamine | CH...)
Show SMILES Cc1cccc(SCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C14H14N6S/c1-8-3-2-4-10(5-8)21-7-9-6-17-13-11(18-9)12(15)19-14(16)20-13/h2-6H,7H2,1H3,(H4,15,16,17,19,20)
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n/an/a 8.48E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050406
PNG
(6-(3-Methoxy-phenylsulfanylmethyl)-pteridine-2,4-d...)
Show SMILES COc1cccc(SCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C14H14N6OS/c1-21-9-3-2-4-10(5-9)22-7-8-6-17-13-11(18-8)12(15)19-14(16)20-13/h2-6H,7H2,1H3,(H4,15,16,17,19,20)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050427
PNG
(6-(4-Methoxy-phenylsulfanylmethyl)-pteridine-2,4-d...)
Show SMILES COc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1
Show InChI InChI=1S/C14H14N6OS/c1-21-9-2-4-10(5-3-9)22-7-8-6-17-13-11(18-8)12(15)19-14(16)20-13/h2-6H,7H2,1H3,(H4,15,16,17,19,20)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050398
PNG
(6-[(2-Methoxy-5-trifluoromethyl-phenylamino)-methy...)
Show SMILES COc1ccc(cc1NCc1cnc2nc(N)nc(N)c2n1)C(F)(F)F
Show InChI InChI=1S/C15H14F3N7O/c1-26-10-3-2-7(15(16,17)18)4-9(10)21-5-8-6-22-13-11(23-8)12(19)24-14(20)25-13/h2-4,6,21H,5H2,1H3,(H4,19,20,22,24,25)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050424
PNG
(6-[2-(2,5-Dimethoxy-phenyl)-ethyl]-pteridine-2,4-d...)
Show SMILES COc1ccc(OC)c(CCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-11-5-6-12(24-2)9(7-11)3-4-10-8-19-15-13(20-10)14(17)21-16(18)22-15/h5-8H,3-4H2,1-2H3,(H4,17,18,19,21,22)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050427
PNG
(6-(4-Methoxy-phenylsulfanylmethyl)-pteridine-2,4-d...)
Show SMILES COc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1
Show InChI InChI=1S/C14H14N6OS/c1-21-9-2-4-10(5-3-9)22-7-8-6-17-13-11(18-8)12(15)19-14(16)20-13/h2-6H,7H2,1H3,(H4,15,16,17,19,20)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050391
PNG
(6-(4-Chloro-phenylsulfanylmethyl)-pteridine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CSc3ccc(Cl)cc3)cnc2n1
Show InChI InChI=1S/C13H11ClN6S/c14-7-1-3-9(4-2-7)21-6-8-5-17-12-10(18-8)11(15)19-13(16)20-12/h1-5H,6H2,(H4,15,16,17,19,20)
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n/an/a 1.43E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050408
PNG
(6-p-Tolylsulfanylmethyl-pteridine-2,4-diamine | CH...)
Show SMILES Cc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1
Show InChI InChI=1S/C14H14N6S/c1-8-2-4-10(5-3-8)21-7-9-6-17-13-11(18-9)12(15)19-14(16)20-13/h2-6H,7H2,1H3,(H4,15,16,17,19,20)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050423
PNG
(6-[(2-Methoxy-6-methyl-phenylamino)-methyl]-pterid...)
Show SMILES COc1cccc(C)c1NCc1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C15H17N7O/c1-8-4-3-5-10(23-2)11(8)18-6-9-7-19-14-12(20-9)13(16)21-15(17)22-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,21,22)
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n/an/a 1.58E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050391
PNG
(6-(4-Chloro-phenylsulfanylmethyl)-pteridine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CSc3ccc(Cl)cc3)cnc2n1
Show InChI InChI=1S/C13H11ClN6S/c14-7-1-3-9(4-2-7)21-6-8-5-17-12-10(18-8)11(15)19-13(16)20-12/h1-5H,6H2,(H4,15,16,17,19,20)
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n/an/a 1.68E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050427
PNG
(6-(4-Methoxy-phenylsulfanylmethyl)-pteridine-2,4-d...)
Show SMILES COc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1
Show InChI InChI=1S/C14H14N6OS/c1-21-9-2-4-10(5-3-9)22-7-8-6-17-13-11(18-8)12(15)19-14(16)20-13/h2-6H,7H2,1H3,(H4,15,16,17,19,20)
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n/an/a 1.72E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050398
PNG
(6-[(2-Methoxy-5-trifluoromethyl-phenylamino)-methy...)
Show SMILES COc1ccc(cc1NCc1cnc2nc(N)nc(N)c2n1)C(F)(F)F
Show InChI InChI=1S/C15H14F3N7O/c1-26-10-3-2-7(15(16,17)18)4-9(10)21-5-8-6-22-13-11(23-8)12(19)24-14(20)25-13/h2-4,6,21H,5H2,1H3,(H4,19,20,22,24,25)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050398
PNG
(6-[(2-Methoxy-5-trifluoromethyl-phenylamino)-methy...)
Show SMILES COc1ccc(cc1NCc1cnc2nc(N)nc(N)c2n1)C(F)(F)F
Show InChI InChI=1S/C15H14F3N7O/c1-26-10-3-2-7(15(16,17)18)4-9(10)21-5-8-6-22-13-11(23-8)12(19)24-14(20)25-13/h2-4,6,21H,5H2,1H3,(H4,19,20,22,24,25)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050382
PNG
(6-m-Tolylsulfanylmethyl-pteridine-2,4-diamine | CH...)
Show SMILES Cc1cccc(SCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C14H14N6S/c1-8-3-2-4-10(5-8)21-7-9-6-17-13-11(18-9)12(15)19-14(16)20-13/h2-6H,7H2,1H3,(H4,15,16,17,19,20)
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n/an/a 2.12E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050395
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-pteridine-2...)
Show SMILES COc1ccc(OC)c(NCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C15H17N7O2/c1-23-9-3-4-11(24-2)10(5-9)18-6-8-7-19-14-12(20-8)13(16)21-15(17)22-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,21,22)
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n/an/a 2.29E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050424
PNG
(6-[2-(2,5-Dimethoxy-phenyl)-ethyl]-pteridine-2,4-d...)
Show SMILES COc1ccc(OC)c(CCc2cnc3nc(N)nc(N)c3n2)c1
Show InChI InChI=1S/C16H18N6O2/c1-23-11-5-6-12(24-2)9(7-11)3-4-10-8-19-15-13(20-10)14(17)21-16(18)22-15/h5-8H,3-4H2,1-2H3,(H4,17,18,19,21,22)
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n/an/a 2.32E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50050416
PNG
(6-(3,4-Dimethoxy-phenylsulfanylmethyl)-pteridine-2...)
Show SMILES COc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1OC
Show InChI InChI=1S/C15H16N6O2S/c1-22-10-4-3-9(5-11(10)23-2)24-7-8-6-18-14-12(19-8)13(16)20-15(17)21-14/h3-6H,7H2,1-2H3,(H4,16,17,18,20,21)
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n/an/a 2.32E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050408
PNG
(6-p-Tolylsulfanylmethyl-pteridine-2,4-diamine | CH...)
Show SMILES Cc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1
Show InChI InChI=1S/C14H14N6S/c1-8-2-4-10(5-3-8)21-7-9-6-17-13-11(18-9)12(15)19-14(16)20-13/h2-6H,7H2,1H3,(H4,15,16,17,19,20)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050402
PNG
(6-(3-Chloro-phenylsulfanylmethyl)-pteridine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CSc3cccc(Cl)c3)cnc2n1
Show InChI InChI=1S/C13H11ClN6S/c14-7-2-1-3-9(4-7)21-6-8-5-17-12-10(18-8)11(15)19-13(16)20-12/h1-5H,6H2,(H4,15,16,17,19,20)
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n/an/a 2.66E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050408
PNG
(6-p-Tolylsulfanylmethyl-pteridine-2,4-diamine | CH...)
Show SMILES Cc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1
Show InChI InChI=1S/C14H14N6S/c1-8-2-4-10(5-3-8)21-7-9-6-17-13-11(18-9)12(15)19-14(16)20-13/h2-6H,7H2,1H3,(H4,15,16,17,19,20)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050416
PNG
(6-(3,4-Dimethoxy-phenylsulfanylmethyl)-pteridine-2...)
Show SMILES COc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1OC
Show InChI InChI=1S/C15H16N6O2S/c1-22-10-4-3-9(5-11(10)23-2)24-7-8-6-18-14-12(19-8)13(16)20-15(17)21-14/h3-6H,7H2,1-2H3,(H4,16,17,18,20,21)
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n/an/a 3.63E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050391
PNG
(6-(4-Chloro-phenylsulfanylmethyl)-pteridine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CSc3ccc(Cl)cc3)cnc2n1
Show InChI InChI=1S/C13H11ClN6S/c14-7-1-3-9(4-2-7)21-6-8-5-17-12-10(18-8)11(15)19-13(16)20-12/h1-5H,6H2,(H4,15,16,17,19,20)
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n/an/a 4.21E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050402
PNG
(6-(3-Chloro-phenylsulfanylmethyl)-pteridine-2,4-di...)
Show SMILES Nc1nc(N)c2nc(CSc3cccc(Cl)c3)cnc2n1
Show InChI InChI=1S/C13H11ClN6S/c14-7-2-1-3-9(4-7)21-6-8-5-17-12-10(18-8)11(15)19-13(16)20-12/h1-5H,6H2,(H4,15,16,17,19,20)
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n/an/a 4.22E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050416
PNG
(6-(3,4-Dimethoxy-phenylsulfanylmethyl)-pteridine-2...)
Show SMILES COc1ccc(SCc2cnc3nc(N)nc(N)c3n2)cc1OC
Show InChI InChI=1S/C15H16N6O2S/c1-22-10-4-3-9(5-11(10)23-2)24-7-8-6-18-14-12(19-8)13(16)20-15(17)21-14/h3-6H,7H2,1-2H3,(H4,16,17,18,20,21)
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n/an/a 5.82E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050418
PNG
(6-(2-Naphthalen-1-yl-ethyl)-pteridine-2,4-diamine ...)
Show SMILES Nc1nc(N)c2nc(CCc3cccc4ccccc34)cnc2n1
Show InChI InChI=1S/C18H16N6/c19-16-15-17(24-18(20)23-16)21-10-13(22-15)9-8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,10H,8-9H2,(H4,19,20,21,23,24)
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n/an/a 6.00E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050418
PNG
(6-(2-Naphthalen-1-yl-ethyl)-pteridine-2,4-diamine ...)
Show SMILES Nc1nc(N)c2nc(CCc3cccc4ccccc34)cnc2n1
Show InChI InChI=1S/C18H16N6/c19-16-15-17(24-18(20)23-16)21-10-13(22-15)9-8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,10H,8-9H2,(H4,19,20,21,23,24)
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n/an/a 9.70E+4n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
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



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%