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PubMed code 1899453

Compile data set for download or QSAR
Found 74 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


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50029760
PNG
(5-[3,5-Dimethoxy-4-(2-methoxy-ethoxy)-benzyl]-pyri...)
Show SMILES COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
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4.5n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50027970
PNG
(5-(4-Bromo-3,5-dimethoxy-benzyl)-pyrimidine-2,4-di...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br
Show InChI InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)
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6.60n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405961
PNG
(CHEMBL57787)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C(C)=C
Show InChI InChI=1S/C16H20N4O2/c1-9(2)14-12(21-3)6-10(7-13(14)22-4)5-11-8-19-16(18)20-15(11)17/h6-8H,1,5H2,2-4H3,(H4,17,18,19,20)
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7.60n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
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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8.30n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405997
PNG
(METIOPRIM)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1SC
Show InChI InChI=1S/C14H18N4O2S/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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8.5n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405988
PNG
(CHEMBL57343)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(NC(C)=O)c1CO
Show InChI InChI=1S/C16H21N5O2/c1-3-11-4-10(5-12-7-19-16(18)21-15(12)17)6-14(13(11)8-22)20-9(2)23/h4,6-7,22H,3,5,8H2,1-2H3,(H,20,23)(H4,17,18,19,21)
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9.5n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405979
PNG
(CHEMBL53516)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(CO)c1CO
Show InChI InChI=1S/C15H20N4O2/c1-2-10-3-9(5-12(7-20)13(10)8-21)4-11-6-18-15(17)19-14(11)16/h3,5-6,20-21H,2,4,7-8H2,1H3,(H4,16,17,18,19)
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11n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405956
PNG
(CHEMBL57383)
Show SMILES COc1cc(Cc2cnc(N)nc2N)ccc1OS(C)(=O)=O
Show InChI InChI=1S/C13H16N4O4S/c1-20-11-6-8(3-4-10(11)21-22(2,18)19)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
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11n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405501
PNG
(CHEMBL57582)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(CC)c1CC
Show InChI InChI=1S/C17H24N4/c1-4-12-7-11(8-13(5-2)15(12)6-3)9-14-10-20-17(19)21-16(14)18/h7-8,10H,4-6,9H2,1-3H3,(H4,18,19,20,21)
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15n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405998
PNG
(CHEMBL300114)
Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OS(C)(=O)=O
Show InChI InChI=1S/C13H16N4O4S/c1-20-10-4-3-8(6-11(10)21-22(2,18)19)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
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16n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405967
PNG
(CHEMBL56757)
Show SMILES COCCOc1ccc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C15H20N4O3/c1-20-5-6-22-12-4-3-10(8-13(12)21-2)7-11-9-18-15(17)19-14(11)16/h3-4,8-9H,5-7H2,1-2H3,(H4,16,17,18,19)
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17n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50138691
PNG
(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
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19n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405965
PNG
(CHEMBL287241)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1
Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-8(5-11(6-10)19-2)3-9-7-16-13(15)17-12(9)14/h4-7H,3H2,1-2H3,(H4,14,15,16,17)
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19n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50406003
PNG
(CHEMBL57034)
Show SMILES CCCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1
Show InChI InChI=1S/C16H22N4O2/c1-3-5-22-14-8-11(7-13(9-14)21-4-2)6-12-10-19-16(18)20-15(12)17/h7-10H,3-6H2,1-2H3,(H4,17,18,19,20)
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20n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405977
PNG
(CHEMBL277391)
Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1C(F)(F)F
Show InChI InChI=1S/C13H13F3N4O/c1-21-10-3-2-7(5-9(10)13(14,15)16)4-8-6-19-12(18)20-11(8)17/h2-3,5-6H,4H2,1H3,(H4,17,18,19,20)
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20n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405989
PNG
(CHEMBL60913)
Show SMILES CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1
Show InChI InChI=1S/C15H20N4O2/c1-3-20-12-6-10(7-13(8-12)21-4-2)5-11-9-18-15(17)19-14(11)16/h6-9H,3-5H2,1-2H3,(H4,16,17,18,19)
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20n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50138699
PNG
(5-(3-(benzyloxy)-4-methoxybenzyl)pyrimidine-2,4-di...)
Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OCc1ccccc1
Show InChI InChI=1S/C19H20N4O2/c1-24-16-8-7-14(9-15-11-22-19(21)23-18(15)20)10-17(16)25-12-13-5-3-2-4-6-13/h2-8,10-11H,9,12H2,1H3,(H4,20,21,22,23)
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22n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50029763
PNG
(5-(3,5-Diethoxy-4-pyrrol-1-yl-benzyl)-pyrimidine-2...)
Show SMILES CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1
Show InChI InChI=1S/C19H23N5O2/c1-3-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-4-2)17(15)24-7-5-6-8-24/h5-8,10-12H,3-4,9H2,1-2H3,(H4,20,21,22,23)
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22n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405971
PNG
(CHEMBL59369)
Show SMILES COc1cc(Cc2cnc(N)nc2N)ccc1O
Show InChI InChI=1S/C12H14N4O2/c1-18-10-5-7(2-3-9(10)17)4-8-6-15-12(14)16-11(8)13/h2-3,5-6,17H,4H2,1H3,(H4,13,14,15,16)
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29n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50110776
PNG
(5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-di...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccccc1
Show InChI InChI=1S/C19H20N4O2/c1-24-17-10-14(9-15-11-22-19(21)23-18(15)20)7-8-16(17)25-12-13-5-3-2-4-6-13/h2-8,10-11H,9,12H2,1H3,(H4,20,21,22,23)
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30n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405972
PNG
(CHEMBL56468)
Show SMILES CCCOc1cc(Cc2cnc(N)nc2N)cc(OCCC)c1
Show InChI InChI=1S/C17H24N4O2/c1-3-5-22-14-8-12(9-15(10-14)23-6-4-2)7-13-11-20-17(19)21-16(13)18/h8-11H,3-7H2,1-2H3,(H4,18,19,20,21)
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39n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50110758
PNG
(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Show SMILES CCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccccc1
Show InChI InChI=1S/C20H22N4O2/c1-2-25-18-11-15(10-16-12-23-20(22)24-19(16)21)8-9-17(18)26-13-14-6-4-3-5-7-14/h3-9,11-12H,2,10,13H2,1H3,(H4,21,22,23,24)
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45n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405996
PNG
(CHEMBL29712)
Show SMILES Nc1ncc(Cc2cccc(I)c2)c(N)n1
Show InChI InChI=1S/C11H11IN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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59n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405958
PNG
(CHEMBL31402)
Show SMILES COCCOc1ccc(Cc2cnc(N)nc2N)cc1OCCOC
Show InChI InChI=1S/C17H24N4O4/c1-22-5-7-24-14-4-3-12(10-15(14)25-8-6-23-2)9-13-11-20-17(19)21-16(13)18/h3-4,10-11H,5-9H2,1-2H3,(H4,18,19,20,21)
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60n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405981
PNG
(CHEMBL56282)
Show SMILES CCCCCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C21H32N4O3/c1-4-5-6-7-8-9-10-28-19-17(26-2)12-15(13-18(19)27-3)11-16-14-24-21(23)25-20(16)22/h12-14H,4-11H2,1-3H3,(H4,22,23,24,25)
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63n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405969
PNG
(CHEMBL57160)
Show SMILES CCCCCCCCOc1cc(Cc2cnc(N)nc2N)ccc1OC
Show InChI InChI=1S/C20H30N4O2/c1-3-4-5-6-7-8-11-26-18-13-15(9-10-17(18)25-2)12-16-14-23-20(22)24-19(16)21/h9-10,13-14H,3-8,11-12H2,1-2H3,(H4,21,22,23,24)
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69n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405974
PNG
(CHEMBL56129)
Show SMILES Nc1ncc(Cc2ccc3OCOc3c2)c(N)n1
Show InChI InChI=1S/C12H12N4O2/c13-11-8(5-15-12(14)16-11)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4-5H,3,6H2,(H4,13,14,15,16)
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74n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405982
PNG
(CHEMBL56602)
Show SMILES Cc1cc(C)cc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C13H16N4/c1-8-3-9(2)5-10(4-8)6-11-7-16-13(15)17-12(11)14/h3-5,7H,6H2,1-2H3,(H4,14,15,16,17)
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91n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405976
PNG
(CHEMBL19790)
Show SMILES Nc1ncc(Cc2cccc(c2)C(F)(F)F)c(N)n1
Show InChI InChI=1S/C12H11F3N4/c13-12(14,15)9-3-1-2-7(5-9)4-8-6-18-11(17)19-10(8)16/h1-3,5-6H,4H2,(H4,16,17,18,19)
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95n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50081909
PNG
(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1
Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)
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102n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50406002
PNG
(CHEMBL18912)
Show SMILES CC(=O)Nc1ccc(Cc2cnc(N)nc2N)cc1[N+]([O-])=O
Show InChI InChI=1S/C13H14N6O3/c1-7(20)17-10-3-2-8(5-11(10)19(21)22)4-9-6-16-13(15)18-12(9)14/h2-3,5-6H,4H2,1H3,(H,17,20)(H4,14,15,16,18)
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107n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405968
PNG
(CHEMBL18898)
Show SMILES Nc1ncc(Cc2cccc(Br)c2)c(N)n1
Show InChI InChI=1S/C11H11BrN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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110n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405966
PNG
(CHEMBL56101)
Show SMILES Nc1ncc(Cc2ccc(cc2)-c2ccccc2)c(N)n1
Show InChI InChI=1S/C17H16N4/c18-16-15(11-20-17(19)21-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H4,18,19,20,21)
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117n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50081908
PNG
(5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES COc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C12H14N4O/c1-17-10-4-2-3-8(6-10)5-9-7-15-12(14)16-11(9)13/h2-4,6-7H,5H2,1H3,(H4,13,14,15,16)
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117n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405984
PNG
(CHEMBL434787)
Show SMILES CS(=O)(=O)Oc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C12H14N4O3S/c1-20(17,18)19-10-4-2-3-8(6-10)5-9-7-15-12(14)16-11(9)13/h2-4,6-7H,5H2,1H3,(H4,13,14,15,16)
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120n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405993
PNG
(CHEMBL19113)
Show SMILES CC(=O)Nc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C13H15N5O/c1-8(19)17-11-4-2-9(3-5-11)6-10-7-16-13(15)18-12(10)14/h2-5,7H,6H2,1H3,(H,17,19)(H4,14,15,16,18)
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129n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM77567
PNG
(5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4...)
Show SMILES CCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C15H20N4O/c1-2-3-8-20-13-6-4-11(5-7-13)9-12-10-18-15(17)19-14(12)16/h4-7,10H,2-3,8-9H2,1H3,(H4,16,17,18,19)
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129n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50138687
PNG
(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Show SMILES Nc1ncc(Cc2ccc(OCc3ccccc3)cc2)c(N)n1
Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)10-13-6-8-16(9-7-13)23-12-14-4-2-1-3-5-14/h1-9,11H,10,12H2,(H4,19,20,21,22)
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129n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50081917
PNG
(5-(3-Hexyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...)
Show SMILES CCCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-9-22-15-8-6-7-13(11-15)10-14-12-20-17(19)21-16(14)18/h6-8,11-12H,2-5,9-10H2,1H3,(H4,18,19,20,21)
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138n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405991
PNG
(CHEMBL301089)
Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1O
Show InChI InChI=1S/C12H14N4O2/c1-18-10-3-2-7(5-9(10)17)4-8-6-15-12(14)16-11(8)13/h2-3,5-6,17H,4H2,1H3,(H4,13,14,15,16)
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145n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50081905
PNG
(5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)
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151n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50406000
PNG
(CHEMBL19293)
Show SMILES Nc1ncc(Cc2ccc(Br)cc2)c(N)n1
Show InChI InChI=1S/C11H11BrN4/c12-9-3-1-7(2-4-9)5-8-6-15-11(14)16-10(8)13/h1-4,6H,5H2,(H4,13,14,15,16)
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151n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50138707
PNG
(5-(4-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C12H14N4O/c1-17-10-4-2-8(3-5-10)6-9-7-15-12(14)16-11(9)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16)
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151n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405987
PNG
(CHEMBL19383)
Show SMILES CN(C)c1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C13H17N5/c1-18(2)11-5-3-9(4-6-11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,7H2,1-2H3,(H4,14,15,16,17)
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166n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405960
PNG
(CHEMBL19406)
Show SMILES Cc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C12H14N4/c1-8-3-2-4-9(5-8)6-10-7-15-12(14)16-11(10)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16)
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200n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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224n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405964
PNG
(CHEMBL298955)
Show SMILES CS(=O)(=O)Oc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C12H14N4O3S/c1-20(17,18)19-10-4-2-8(3-5-10)6-9-7-15-12(14)16-11(9)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16)
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251n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405999
PNG
(CHEMBL31462)
Show SMILES COCc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C13H16N4O/c1-18-8-10-4-2-3-9(5-10)6-11-7-16-13(15)17-12(11)14/h2-5,7H,6,8H2,1H3,(H4,14,15,16,17)
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257n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405995
PNG
(CHEMBL31055)
Show SMILES NC(=O)COc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C13H15N5O2/c14-11(19)7-20-10-3-1-2-8(5-10)4-9-6-17-13(16)18-12(9)15/h1-3,5-6H,4,7H2,(H2,14,19)(H4,15,16,17,18)
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269n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405990
PNG
(CHEMBL19771)
Show SMILES Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)c(N)n1
Show InChI InChI=1S/C12H11F3N4O/c13-12(14,15)20-9-3-1-7(2-4-9)5-8-6-18-11(17)19-10(8)16/h1-4,6H,5H2,(H4,16,17,18,19)
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269n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405992
PNG
(CHEMBL281760)
Show SMILES CCCCOCc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C16H22N4O/c1-2-3-7-21-11-13-6-4-5-12(8-13)9-14-10-19-16(18)20-15(14)17/h4-6,8,10H,2-3,7,9,11H2,1H3,(H4,17,18,19,20)
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282n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405955
PNG
(CHEMBL31351)
Show SMILES COCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O2/c1-19-5-6-20-12-4-2-3-10(8-12)7-11-9-17-14(16)18-13(11)15/h2-4,8-9H,5-7H2,1H3,(H4,15,16,17,18)
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295n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50406001
PNG
(CHEMBL416177)
Show SMILES Cc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C12H14N4/c1-8-2-4-9(5-3-8)6-10-7-15-12(14)16-11(10)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16)
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331n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50081919
PNG
(3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol | CHEM...)
Show SMILES Nc1ncc(Cc2cccc(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)4-7-2-1-3-9(16)5-7/h1-3,5-6,16H,4H2,(H4,12,13,14,15)
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339n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405957
PNG
(CHEMBL279273)
Show SMILES Nc1ncc(Cc2ccc(O)c(O)c2)c(N)n1
Show InChI InChI=1S/C11H12N4O2/c12-10-7(5-14-11(13)15-10)3-6-1-2-8(16)9(17)4-6/h1-2,4-5,16-17H,3H2,(H4,12,13,14,15)
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347n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405986
PNG
(CHEMBL56668)
Show SMILES Nc1ncc(Cc2ccc(O)cc2)c(N)n1
Show InChI InChI=1S/C11H12N4O/c12-10-8(6-14-11(13)15-10)5-7-1-3-9(16)4-2-7/h1-4,6,16H,5H2,(H4,12,13,14,15)
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355n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405975
PNG
(CHEMBL280884)
Show SMILES Nc1ncc(Cc2ccc(Cl)cc2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-7(2-4-9)5-8-6-15-11(14)16-10(8)13/h1-4,6H,5H2,(H4,13,14,15,16)
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355n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405985
PNG
(CHEMBL418584)
Show SMILES COCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C14H18N4O2/c1-19-6-7-20-12-4-2-10(3-5-12)8-11-9-17-14(16)18-13(11)15/h2-5,9H,6-8H2,1H3,(H4,15,16,17,18)
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398n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50081914
PNG
(5-(3-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Show SMILES CCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C18H26N4O/c1-2-3-4-5-6-10-23-16-9-7-8-14(12-16)11-15-13-21-18(20)22-17(15)19/h7-9,12-13H,2-6,10-11H2,1H3,(H4,19,20,21,22)
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407n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405970
PNG
(CHEMBL19780)
Show SMILES Nc1ncc(Cc2ccc(F)cc2)c(N)n1
Show InChI InChI=1S/C11H11FN4/c12-9-3-1-7(2-4-9)5-8-6-15-11(14)16-10(8)13/h1-4,6H,5H2,(H4,13,14,15,16)
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447n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405980
PNG
(CHEMBL31619)
Show SMILES Nc1ncc(Cc2cc(CO)cc(CO)c2)c(N)n1
Show InChI InChI=1S/C13H16N4O2/c14-12-11(5-16-13(15)17-12)4-8-1-9(6-18)3-10(2-8)7-19/h1-3,5,18-19H,4,6-7H2,(H4,14,15,16,17)
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490n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405978
PNG
(CHEMBL19672)
Show SMILES Nc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C11H13N5/c12-9-3-1-7(2-4-9)5-8-6-15-11(14)16-10(8)13/h1-4,6H,5,12H2,(H4,13,14,15,16)
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501n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405983
PNG
(CHEMBL32067)
Show SMILES Nc1ncc(Cc2cccc(CO)c2)c(N)n1
Show InChI InChI=1S/C12H14N4O/c13-11-10(6-15-12(14)16-11)5-8-2-1-3-9(4-8)7-17/h1-4,6,17H,5,7H2,(H4,13,14,15,16)
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525n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50081910
PNG
(5-(3-Octyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...)
Show SMILES CCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C19H28N4O/c1-2-3-4-5-6-7-11-24-17-10-8-9-15(13-17)12-16-14-22-19(21)23-18(16)20/h8-10,13-14H,2-7,11-12H2,1H3,(H4,20,21,22,23)
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562n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405962
PNG
(CHEMBL19772)
Show SMILES Nc1ncc(Cc2cccc(F)c2)c(N)n1
Show InChI InChI=1S/C11H11FN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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589n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405963
PNG
(CHEMBL19414)
Show SMILES Nc1ncc(Cc2ccc(cc2)[N+]([O-])=O)c(N)n1
Show InChI InChI=1S/C11H11N5O2/c12-10-8(6-14-11(13)15-10)5-7-1-3-9(4-2-7)16(17)18/h1-4,6H,5H2,(H4,12,13,14,15)
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631n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50391226
PNG
(CHEMBL265493)
Show SMILES Nc1ncc(Cc2ccccc2)c(N)n1
Show InChI InChI=1S/C11H12N4/c12-10-9(7-14-11(13)15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,12,13,14,15)
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661n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50138698
PNG
(5-(4-Heptyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Show SMILES CCCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C18H26N4O/c1-2-3-4-5-6-11-23-16-9-7-14(8-10-16)12-15-13-21-18(20)22-17(15)19/h7-10,13H,2-6,11-12H2,1H3,(H4,19,20,21,22)
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794n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405959
PNG
(CHEMBL31912)
Show SMILES CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-10-22-15-8-6-13(7-9-15)11-14-12-20-17(19)21-16(14)18/h6-9,12H,2-5,10-11H2,1H3,(H4,18,19,20,21)
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851n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50391226
PNG
(CHEMBL265493)
Show SMILES Nc1ncc(Cc2ccccc2)c(N)n1
Show InChI InChI=1S/C11H12N4/c12-10-9(7-14-11(13)15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,12,13,14,15)
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1.95E+4n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against chicken dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
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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1.05E+5n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against chicken dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50029760
PNG
(5-[3,5-Dimethoxy-4-(2-methoxy-ethoxy)-benzyl]-pyri...)
Show SMILES COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
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2.29E+5n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against chicken dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405979
PNG
(CHEMBL53516)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(CO)c1CO
Show InChI InChI=1S/C15H20N4O2/c1-2-10-3-9(5-12(7-20)13(10)8-21)4-11-6-18-15(17)19-14(11)16/h3,5-6,20-21H,2,4,7-8H2,1H3,(H4,16,17,18,19)
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Article
PubMed
2.63E+5n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against chicken dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405988
PNG
(CHEMBL57343)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(NC(C)=O)c1CO
Show InChI InChI=1S/C16H21N5O2/c1-3-11-4-10(5-12-7-19-16(18)21-15(12)17)6-14(13(11)8-22)20-9(2)23/h4,6-7,22H,3,5,8H2,1-2H3,(H,20,23)(H4,17,18,19,21)
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CHEMBL
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UniChem
Article
PubMed
7.08E+5n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against chicken dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%