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PubMed code 7035668

Compile data set for download or QSAR
Found 65 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


(Escherichia coli)
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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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421669
PNG
(CHEMBL171639)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(NC(=O)CBr)cc1
Show InChI InChI=1S/C21H22BrN5O4/c1-29-16-8-12(7-13-11-25-21(24)27-20(13)23)9-17(30-2)19(16)31-15-5-3-14(4-6-15)26-18(28)10-22/h3-6,8-9,11H,7,10H2,1-2H3,(H,26,28)(H4,23,24,25,27)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421700
PNG
(CHEMBL172805)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCO
Show InChI InChI=1S/C16H22N4O4/c1-22-12-7-10(6-11-9-19-16(18)20-15(11)17)8-13(23-2)14(12)24-5-3-4-21/h7-9,21H,3-6H2,1-2H3,(H4,17,18,19,20)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421677
PNG
(CHEMBL369211)
Show SMILES CCCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C19H28N4O3/c1-4-5-6-7-8-26-17-15(24-2)10-13(11-16(17)25-3)9-14-12-22-19(21)23-18(14)20/h10-12H,4-9H2,1-3H3,(H4,20,21,22,23)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


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



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421682
PNG
(CHEMBL176489)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCl
Show InChI InChI=1S/C16H21ClN4O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6H2,1-2H3,(H4,18,19,20,21)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421675
PNG
(CHEMBL427305)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC=C
Show InChI InChI=1S/C16H20N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h4,7-9H,1,5-6H2,2-3H3,(H4,17,18,19,20)
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n/an/a 5.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421697
PNG
(CHEMBL423434)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(N)cc1
Show InChI InChI=1S/C19H21N5O3/c1-25-15-8-11(7-12-10-23-19(22)24-18(12)21)9-16(26-2)17(15)27-14-5-3-13(20)4-6-14/h3-6,8-10H,7,20H2,1-2H3,(H4,21,22,23,24)
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n/an/a 6.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421680
PNG
(CHEMBL263732)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C
Show InChI InChI=1S/C14H18N4O2/c1-8-11(19-2)5-9(6-12(8)20-3)4-10-7-17-14(16)18-13(10)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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n/an/a 7.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421676
PNG
(CHEMBL170172)
Show SMILES CCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C15H20N4O3/c1-4-22-13-11(20-2)6-9(7-12(13)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)
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n/an/a 7.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Dihydrofolate reductase of E. coli; Value ranges from 0.5-0.7M


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421672
PNG
(CHEMBL367061)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H19N5O5/c1-27-15-8-11(7-12-10-22-19(21)23-18(12)20)9-16(28-2)17(15)29-14-5-3-13(4-6-14)24(25)26/h3-6,8-10H,7H2,1-2H3,(H4,20,21,22,23)
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n/an/a 7.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421670
PNG
(CHEMBL173641)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H21N5O5/c1-28-16-8-13(7-14-10-23-20(22)24-19(14)21)9-17(29-2)18(16)30-11-12-3-5-15(6-4-12)25(26)27/h3-6,8-10H,7,11H2,1-2H3,(H4,21,22,23,24)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421693
PNG
(CHEMBL174433)
Show SMILES CCc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C15H20N4O2/c1-4-11-12(20-2)6-9(7-13(11)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421687
PNG
(CHEMBL173901)
Show SMILES CCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C17H24N4O3/c1-4-5-6-24-15-13(22-2)8-11(9-14(15)23-3)7-12-10-20-17(19)21-16(12)18/h8-10H,4-7H2,1-3H3,(H4,18,19,20,21)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50404462
PNG
(4-Hydroxytrimethoprim | CHEMBL1181)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421671
PNG
(CHEMBL170369)
Show SMILES CCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C16H22N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)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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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50110756
PNG
(5-(4-Benzyloxy-3,5-dimethoxy-benzyl)-pyrimidine-2,...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-25-16-9-14(8-15-11-23-20(22)24-19(15)21)10-17(26-2)18(16)27-12-13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H4,21,22,23,24)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421689
PNG
(CHEMBL366561)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCN1CCOCC1
Show InChI InChI=1S/C19H27N5O4/c1-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-2)17(15)28-8-5-24-3-6-27-7-4-24/h10-12H,3-9H2,1-2H3,(H4,20,21,22,23)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421695
PNG
(CHEMBL173265)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC1CO1
Show InChI InChI=1S/C16H20N4O4/c1-21-12-4-9(3-10-6-19-16(18)20-15(10)17)5-13(22-2)14(12)24-8-11-7-23-11/h4-6,11H,3,7-8H2,1-2H3,(H4,17,18,19,20)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421681
PNG
(CHEMBL173175)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(O)CO
Show InChI InChI=1S/C16H22N4O5/c1-23-12-4-9(3-10-6-19-16(18)20-15(10)17)5-13(24-2)14(12)25-8-11(22)7-21/h4-6,11,21-22H,3,7-8H2,1-2H3,(H4,17,18,19,20)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421678
PNG
(CHEMBL367218)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCl
Show InChI InChI=1S/C15H19ClN4O3/c1-21-11-6-9(5-10-8-19-15(18)20-14(10)17)7-12(22-2)13(11)23-4-3-16/h6-8H,3-5H2,1-2H3,(H4,17,18,19,20)
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421684
PNG
(CHEMBL369057)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN
Show InChI InChI=1S/C19H29N5O3/c1-25-15-10-13(9-14-12-23-19(22)24-18(14)21)11-16(26-2)17(15)27-8-6-4-3-5-7-20/h10-12H,3-9,20H2,1-2H3,(H4,21,22,23,24)
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421674
PNG
(CHEMBL174309)
Show SMILES CCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C18H26N4O3/c1-4-5-6-7-25-16-14(23-2)9-12(10-15(16)24-3)8-13-11-21-18(20)22-17(13)19/h9-11H,4-8H2,1-3H3,(H4,19,20,21,22)
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421699
PNG
(CHEMBL172495)
Show SMILES CCC(C)Oc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C17H24N4O3/c1-5-10(2)24-15-13(22-3)7-11(8-14(15)23-4)6-12-9-20-17(19)21-16(12)18/h7-10H,5-6H2,1-4H3,(H4,18,19,20,21)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50026305
PNG
(CHEMBL322001 | [4-(2,4-Diamino-pyrimidin-5-ylmethy...)
Show SMILES CCOC(=O)COc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C17H22N4O5/c1-4-25-14(22)9-26-15-12(23-2)6-10(7-13(15)24-3)5-11-8-20-17(19)21-16(11)18/h6-8H,4-5,9H2,1-3H3,(H4,18,19,20,21)
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421692
PNG
(CHEMBL366869)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H25N5O5/c1-32-18-11-14(10-15-13-27-24(26)28-21(15)25)12-19(33-2)20(18)34-9-5-8-29-22(30)16-6-3-4-7-17(16)23(29)31/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H4,25,26,27,28)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421691
PNG
(CHEMBL173069)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H23N5O5/c1-31-17-10-13(9-14-12-26-23(25)27-20(14)24)11-18(32-2)19(17)33-8-7-28-21(29)15-5-3-4-6-16(15)22(28)30/h3-6,10-12H,7-9H2,1-2H3,(H4,24,25,26,27)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421694
PNG
(CHEMBL174404)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(C)C
Show InChI InChI=1S/C17H24N4O3/c1-10(2)9-24-15-13(22-3)6-11(7-14(15)23-4)5-12-8-20-17(19)21-16(12)18/h6-8,10H,5,9H2,1-4H3,(H4,18,19,20,21)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50026310
PNG
(6-[4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dimeth...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCC(O)=O
Show InChI InChI=1S/C19H26N4O5/c1-26-14-9-12(8-13-11-22-19(21)23-18(13)20)10-15(27-2)17(14)28-7-5-3-4-6-16(24)25/h9-11H,3-8H2,1-2H3,(H,24,25)(H4,20,21,22,23)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421686
PNG
(CHEMBL174091)
Show SMILES COc1cc(COc2c(OC)cc(Cc3cnc(N)nc3N)cc2OC)cc(OC)c1OC
Show InChI InChI=1S/C23H28N4O6/c1-28-16-9-14(10-17(29-2)20(16)32-5)12-33-21-18(30-3)7-13(8-19(21)31-4)6-15-11-26-23(25)27-22(15)24/h7-11H,6,12H2,1-5H3,(H4,24,25,26,27)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421690
PNG
(CHEMBL173595)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C21H32N6O3/c1-26-6-8-27(9-7-26)5-4-10-30-19-17(28-2)12-15(13-18(19)29-3)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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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421683
PNG
(CHEMBL173709)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCO
Show InChI InChI=1S/C15H20N4O4/c1-21-11-6-9(5-10-8-18-15(17)19-14(10)16)7-12(22-2)13(11)23-4-3-20/h6-8,20H,3-5H2,1-2H3,(H4,16,17,18,19)
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421688
PNG
(CHEMBL171839)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCN
Show InChI InChI=1S/C15H21N5O3/c1-21-11-6-9(5-10-8-19-15(18)20-14(10)17)7-12(22-2)13(11)23-4-3-16/h6-8H,3-5,16H2,1-2H3,(H4,17,18,19,20)
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421698
PNG
(CHEMBL355793)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(C)C
Show InChI InChI=1S/C16H22N4O3/c1-9(2)23-14-12(21-3)6-10(7-13(14)22-4)5-11-8-19-16(18)20-15(11)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421673
PNG
(CHEMBL172808)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C25H27N5O5/c1-33-19-12-15(11-16-14-28-25(27)29-22(16)26)13-20(34-2)21(19)35-10-6-5-9-30-23(31)17-7-3-4-8-18(17)24(30)32/h3-4,7-8,12-14H,5-6,9-11H2,1-2H3,(H4,26,27,28,29)
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421679
PNG
(CHEMBL174033)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C27H31N5O5/c1-35-21-14-17(13-18-16-30-27(29)31-24(18)28)15-22(36-2)23(21)37-12-8-4-3-7-11-32-25(33)19-9-5-6-10-20(19)26(32)34/h5-6,9-10,14-16H,3-4,7-8,11-13H2,1-2H3,(H4,28,29,30,31)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421685
PNG
(CHEMBL368393)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCN
Show InChI InChI=1S/C16H23N5O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6,17H2,1-2H3,(H4,18,19,20,21)
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50421696
PNG
(CHEMBL172131)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCN1CCCCC1
Show InChI InChI=1S/C21H31N5O3/c1-27-17-12-15(11-16-14-24-21(23)25-20(16)22)13-18(28-2)19(17)29-10-6-9-26-7-4-3-5-8-26/h12-14H,3-11H2,1-2H3,(H4,22,23,24,25)
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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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n/an/a 56n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50367239
PNG
(CHEMBL318078)
Show SMILES COC(=O)CCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C20H28N4O5/c1-26-15-10-13(9-14-12-23-20(22)24-19(14)21)11-16(27-2)18(15)29-8-6-4-5-7-17(25)28-3/h10-12H,4-9H2,1-3H3,(H4,21,22,23,24)
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n/an/a 62n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50367240
PNG
(CHEMBL104675)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(O)=O
Show InChI InChI=1S/C15H18N4O5/c1-22-10-4-8(3-9-6-18-15(17)19-14(9)16)5-11(23-2)13(10)24-7-12(20)21/h4-6H,3,7H2,1-2H3,(H,20,21)(H4,16,17,18,19)
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n/an/a 320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421686
PNG
(CHEMBL174091)
Show SMILES COc1cc(COc2c(OC)cc(Cc3cnc(N)nc3N)cc2OC)cc(OC)c1OC
Show InChI InChI=1S/C23H28N4O6/c1-28-16-9-14(10-17(29-2)20(16)32-5)12-33-21-18(30-3)7-13(8-19(21)31-4)6-15-11-26-23(25)27-22(15)24/h7-11H,6,12H2,1-5H3,(H4,24,25,26,27)
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50110756
PNG
(5-(4-Benzyloxy-3,5-dimethoxy-benzyl)-pyrimidine-2,...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCc1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-25-16-9-14(8-15-11-23-20(22)24-19(15)21)10-17(26-2)18(16)27-12-13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H4,21,22,23,24)
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n/an/a 4.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421672
PNG
(CHEMBL367061)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H19N5O5/c1-27-15-8-11(7-12-10-22-19(21)23-18(12)20)9-16(28-2)17(15)29-14-5-3-13(4-6-14)24(25)26/h3-6,8-10H,7H2,1-2H3,(H4,20,21,22,23)
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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421673
PNG
(CHEMBL172808)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C25H27N5O5/c1-33-19-12-15(11-16-14-28-25(27)29-22(16)26)13-20(34-2)21(19)35-10-6-5-9-30-23(31)17-7-3-4-8-18(17)24(30)32/h3-4,7-8,12-14H,5-6,9-11H2,1-2H3,(H4,26,27,28,29)
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n/an/a 5.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421692
PNG
(CHEMBL366869)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H25N5O5/c1-32-18-11-14(10-15-13-27-24(26)28-21(15)25)12-19(33-2)20(18)34-9-5-8-29-22(30)16-6-3-4-7-17(16)23(29)31/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H4,25,26,27,28)
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n/an/a 6.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
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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n/an/a 9.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50404462
PNG
(4-Hydroxytrimethoprim | CHEMBL1181)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
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n/an/a 9.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421680
PNG
(CHEMBL263732)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C
Show InChI InChI=1S/C14H18N4O2/c1-8-11(19-2)5-9(6-12(8)20-3)4-10-7-17-14(16)18-13(10)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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n/an/a 1.20E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421693
PNG
(CHEMBL174433)
Show SMILES CCc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C15H20N4O2/c1-4-11-12(20-2)6-9(7-13(11)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421677
PNG
(CHEMBL369211)
Show SMILES CCCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C19H28N4O3/c1-4-5-6-7-8-26-17-15(24-2)10-13(11-16(17)25-3)9-14-12-22-19(21)23-18(14)20/h10-12H,4-9H2,1-3H3,(H4,20,21,22,23)
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421671
PNG
(CHEMBL170369)
Show SMILES CCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C16H22N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)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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n/an/a 2.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Dihydrofolate Reductase of rat liver


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421682
PNG
(CHEMBL176489)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCl
Show InChI InChI=1S/C16H21ClN4O3/c1-22-12-7-10(6-11-9-20-16(19)21-15(11)18)8-13(23-2)14(12)24-5-3-4-17/h7-9H,3-6H2,1-2H3,(H4,18,19,20,21)
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n/an/a 2.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
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 2.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421674
PNG
(CHEMBL174309)
Show SMILES CCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C18H26N4O3/c1-4-5-6-7-25-16-14(23-2)9-12(10-15(16)24-3)8-13-11-21-18(20)22-17(13)19/h9-11H,4-8H2,1-3H3,(H4,19,20,21,22)
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n/an/a 2.70E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50026310
PNG
(6-[4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dimeth...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCC(O)=O
Show InChI InChI=1S/C19H26N4O5/c1-26-14-9-12(8-13-11-22-19(21)23-18(13)20)10-15(27-2)17(14)28-7-5-3-4-6-16(24)25/h9-11H,3-8H2,1-2H3,(H,24,25)(H4,20,21,22,23)
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n/an/a 2.96E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421683
PNG
(CHEMBL173709)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCO
Show InChI InChI=1S/C15H20N4O4/c1-21-11-6-9(5-10-8-18-15(17)19-14(10)16)7-12(22-2)13(11)23-4-3-20/h6-8,20H,3-5H2,1-2H3,(H4,16,17,18,19)
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n/an/a>4.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421689
PNG
(CHEMBL366561)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCN1CCOCC1
Show InChI InChI=1S/C19H27N5O4/c1-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-2)17(15)28-8-5-24-3-6-27-7-4-24/h10-12H,3-9H2,1-2H3,(H4,20,21,22,23)
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n/an/a>4.40E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421675
PNG
(CHEMBL427305)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC=C
Show InChI InChI=1S/C16H20N4O3/c1-4-5-23-14-12(21-2)7-10(8-13(14)22-3)6-11-9-19-16(18)20-15(11)17/h4,7-9H,1,5-6H2,2-3H3,(H4,17,18,19,20)
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n/an/a 4.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Dihydrofolate Reductase(DHFR) of rat liver


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421684
PNG
(CHEMBL369057)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCCCCN
Show InChI InChI=1S/C19H29N5O3/c1-25-15-10-13(9-14-12-23-19(22)24-18(14)21)11-16(26-2)17(15)27-8-6-4-3-5-7-20/h10-12H,3-9,20H2,1-2H3,(H4,21,22,23,24)
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n/an/a 5.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421687
PNG
(CHEMBL173901)
Show SMILES CCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C17H24N4O3/c1-4-5-6-24-15-13(22-2)8-11(9-14(15)23-3)7-12-10-20-17(19)21-16(12)18/h8-10H,4-7H2,1-3H3,(H4,18,19,20,21)
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n/an/a 5.80E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421678
PNG
(CHEMBL367218)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCl
Show InChI InChI=1S/C15H19ClN4O3/c1-21-11-6-9(5-10-8-19-15(18)20-14(10)17)7-12(22-2)13(11)23-4-3-16/h6-8H,3-5H2,1-2H3,(H4,17,18,19,20)
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n/an/a 6.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50421676
PNG
(CHEMBL170172)
Show SMILES CCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C15H20N4O3/c1-4-22-13-11(20-2)6-9(7-12(13)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)
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n/an/a 6.20E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Dihydrofolate Reductase of rat liver


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50367239
PNG
(CHEMBL318078)
Show SMILES COC(=O)CCCCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C20H28N4O5/c1-26-15-10-13(9-14-12-23-20(22)24-19(14)21)11-16(27-2)18(15)29-8-6-4-5-7-17(25)28-3/h10-12H,4-9H2,1-3H3,(H4,21,22,23,24)
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n/an/a 1.10E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase.


J Med Chem 24: 933-41 (1982)


Article DOI: 10.1021/jm00140a005
BindingDB Entry DOI: 10.7270/Q2SF2XGF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%