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31 similar compounds to monomer 50405986

Compile data set for download or QSAR
Wt: 258.3
BDBM77518
Purchase
Wt: 272.3
BDBM77567
Wt: 300.3
BDBM50018474
Wt: 230.2
BDBM50081908
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Wt: 258.3
BDBM50081918
Wt: 216.2
BDBM50081919
Wt: 244.2
BDBM50081921
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Wt: 260.2
BDBM50138691
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Wt: 350.4
BDBM50138693
Wt: 230.2
BDBM50138707
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Wt: 200.2
BDBM50391226
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Wt: 274.3
BDBM50405985
Wt: 246.2
BDBM50405991
Wt: 228.2
BDBM50405504
Wt: 232.2
BDBM50405957
Displayed 1 to 15 (of 28 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 163 hits for monomerid = 77518,77567,50018474,50081908,50081918,50081919,50081921,50138691,50138693,50138707,50391226,50405985,50405991,50405504,50405957   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Escherichia coli)
BDBM50018474
PNG
(4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-...)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O
Show InChI InChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)
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1.70n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Antibacterial activity against Escherichia coli DHFR


J Med Chem 32: 1949-58 (1989)


Article DOI: 10.1021/jm00128a043
BindingDB Entry DOI: 10.7270/Q2DF6Q6G
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081918
PNG
(5-(4-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C14H18N4O/c1-2-7-19-12-5-3-10(4-6-12)8-11-9-17-14(16)18-13(11)15/h3-6,9H,2,7-8H2,1H3,(H4,15,16,17,18)
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6.40n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50138693
PNG
(5-[4-(3-Phenoxy-propoxy)-benzyl]-pyrimidine-2,4-di...)
Show SMILES Nc1ncc(Cc2ccc(OCCCOc3ccccc3)cc2)c(N)n1
Show InChI InChI=1S/C20H22N4O2/c21-19-16(14-23-20(22)24-19)13-15-7-9-18(10-8-15)26-12-4-11-25-17-5-2-1-3-6-17/h1-3,5-10,14H,4,11-13H2,(H4,21,22,23,24)
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6.5n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
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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9.60n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081921
PNG
(5-(4-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-9(4-6-11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)
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9.80n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
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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11.5n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50081918
PNG
(5-(4-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C14H18N4O/c1-2-7-19-12-5-3-10(4-6-12)8-11-9-17-14(16)18-13(11)15/h3-6,9H,2,7-8H2,1H3,(H4,15,16,17,18)
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15.1n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



TBA

Curated by ChEMBL


Assay Description
Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli


J Med Chem 24: 538-44 (1981)


Article DOI: 10.1021/jm00137a012
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



Beijing Medical University

Curated by ChEMBL


Assay Description
Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase


J Med Chem 31: 366-70 (1988)


Article DOI: 10.1021/jm00397a017
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
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-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
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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23.5n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



Beijing Medical University

Curated by ChEMBL


Assay Description
Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase


J Med Chem 31: 366-70 (1988)


Article DOI: 10.1021/jm00397a017
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


(Escherichia coli)
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



TBA

Curated by ChEMBL


Assay Description
Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli


J Med Chem 24: 538-44 (1981)


Article DOI: 10.1021/jm00137a012
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
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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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
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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120n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Lactobacillus casei dihydrofolate reductase


J Med Chem 32: 1895-905 (1989)


Article DOI: 10.1021/jm00128a035
BindingDB Entry DOI: 10.7270/Q2QR4ZB9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



Beijing Medical University

Curated by ChEMBL


Assay Description
Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase


J Med Chem 31: 366-70 (1988)


Article DOI: 10.1021/jm00397a017
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


(Escherichia coli)
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



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



TBA

Curated by ChEMBL


Assay Description
Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli


J Med Chem 24: 538-44 (1981)


Article DOI: 10.1021/jm00137a012
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081921
PNG
(5-(4-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-9(4-6-11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)
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130n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Leishmania major.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
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


(Escherichia coli)
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



TBA

Curated by ChEMBL


Assay Description
Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli


J Med Chem 24: 538-44 (1981)


Article DOI: 10.1021/jm00137a012
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



Beijing Medical University

Curated by ChEMBL


Assay Description
Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase


J Med Chem 31: 366-70 (1988)


Article DOI: 10.1021/jm00397a017
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


(Escherichia coli)
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



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
More data for this
Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50138693
PNG
(5-[4-(3-Phenoxy-propoxy)-benzyl]-pyrimidine-2,4-di...)
Show SMILES Nc1ncc(Cc2ccc(OCCCOc3ccccc3)cc2)c(N)n1
Show InChI InChI=1S/C20H22N4O2/c21-19-16(14-23-20(22)24-19)13-15-7-9-18(10-8-15)26-12-4-11-25-17-5-2-1-3-6-17/h1-3,5-10,14H,4,11-13H2,(H4,21,22,23,24)
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170n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081921
PNG
(5-(4-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-9(4-6-11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)
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210n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
BDBM50081918
PNG
(5-(4-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C14H18N4O/c1-2-7-19-12-5-3-10(4-6-12)8-11-9-17-14(16)18-13(11)15/h3-6,9H,2,7-8H2,1H3,(H4,15,16,17,18)
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212n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081918
PNG
(5-(4-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C14H18N4O/c1-2-7-19-12-5-3-10(4-6-12)8-11-9-17-14(16)18-13(11)15/h3-6,9H,2,7-8H2,1H3,(H4,15,16,17,18)
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230n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
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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235n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
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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257n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Lactobacillus casei dihydrofolate reductase


J Med Chem 32: 1895-905 (1989)


Article DOI: 10.1021/jm00128a035
BindingDB Entry DOI: 10.7270/Q2QR4ZB9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
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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300n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Leishmania major.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081918
PNG
(5-(4-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C14H18N4O/c1-2-7-19-12-5-3-10(4-6-12)8-11-9-17-14(16)18-13(11)15/h3-6,9H,2,7-8H2,1H3,(H4,15,16,17,18)
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330n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Leishmania major.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
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


(Escherichia coli)
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



TBA

Curated by ChEMBL


Assay Description
Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli


J Med Chem 24: 538-44 (1981)


Article DOI: 10.1021/jm00137a012
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



Beijing Medical University

Curated by ChEMBL


Assay Description
Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase


J Med Chem 31: 366-70 (1988)


Article DOI: 10.1021/jm00397a017
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



TBA

Curated by ChEMBL


Assay Description
Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli


J Med Chem 24: 538-44 (1981)


Article DOI: 10.1021/jm00137a012
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



Beijing Medical University

Curated by ChEMBL


Assay Description
Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase


J Med Chem 31: 366-70 (1988)


Article DOI: 10.1021/jm00397a017
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


(Escherichia coli)
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



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



Beijing Medical University

Curated by ChEMBL


Assay Description
Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase


J Med Chem 31: 366-70 (1988)


Article DOI: 10.1021/jm00397a017
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


(Escherichia coli)
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



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
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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427n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Lactobacillus casei dihydrofolate reductase


J Med Chem 32: 1895-905 (1989)


Article DOI: 10.1021/jm00128a035
BindingDB Entry DOI: 10.7270/Q2QR4ZB9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
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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427n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Lactobacillus casei (expressed as log 1/Kiapp)


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
More data for this
Ligand-Target Pair
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1


(Plasmodium falciparum (isolate K1 / Thailand))
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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464n/an/an/an/an/an/an/an/a



National Center for Genetic Engineering and Biotechnology

Curated by ChEMBL


Assay Description
Inhibitory activity against double mutant dihydrofolate reductase (C59R+S108N DHFR)


J Med Chem 47: 345-54 (2004)


Article DOI: 10.1021/jm0303352
BindingDB Entry DOI: 10.7270/Q237784Q
More data for this
Ligand-Target Pair
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