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5 similar compounds to monomer 50405995

Compile data set for download or QSAR
Wt: 244.2
BDBM50081907
Wt: 258.3
BDBM50081920
Wt: 258.3
BDBM50081922
Wt: 288.3
BDBM50405989
Wt: 274.3
BDBM50405955

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50081907,50081920,50081922,50405989,50405955   
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)
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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0.776n/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


(Homo sapiens (Human))
BDBM50081907
PNG
(5-(3-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-4-9(7-11)6-10-8-16-13(15)17-12(10)14/h3-5,7-8H,2,6H2,1H3,(H4,14,15,16,17)
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8.60n/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))
BDBM50081922
PNG
(5-(3-Isopropoxy-benzyl)-pyrimidine-2,4-diamine | C...)
Show SMILES CC(C)Oc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-9(2)19-12-5-3-4-10(7-12)6-11-8-17-14(16)18-13(11)15/h3-5,7-9H,6H2,1-2H3,(H4,15,16,17,18)
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8.80n/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


(Homo sapiens (Human))
BDBM50081920
PNG
(5-(3-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-2-6-19-12-5-3-4-10(8-12)7-11-9-17-14(16)18-13(11)15/h3-5,8-9H,2,6-7H2,1H3,(H4,15,16,17,18)
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10.5n/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


(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


(Homo sapiens (Human))
BDBM50081922
PNG
(5-(3-Isopropoxy-benzyl)-pyrimidine-2,4-diamine | C...)
Show SMILES CC(C)Oc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-9(2)19-12-5-3-4-10(7-12)6-11-8-17-14(16)18-13(11)15/h3-5,7-9H,6H2,1-2H3,(H4,15,16,17,18)
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23n/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


(Homo sapiens (Human))
BDBM50081920
PNG
(5-(3-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-2-6-19-12-5-3-4-10(8-12)7-11-9-17-14(16)18-13(11)15/h3-5,8-9H,2,6-7H2,1H3,(H4,15,16,17,18)
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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


(Homo sapiens (Human))
BDBM50081907
PNG
(5-(3-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-4-9(7-11)6-10-8-16-13(15)17-12(10)14/h3-5,7-8H,2,6H2,1H3,(H4,14,15,16,17)
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156n/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))
BDBM50081922
PNG
(5-(3-Isopropoxy-benzyl)-pyrimidine-2,4-diamine | C...)
Show SMILES CC(C)Oc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-9(2)19-12-5-3-4-10(7-12)6-11-8-17-14(16)18-13(11)15/h3-5,7-9H,6H2,1-2H3,(H4,15,16,17,18)
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160n/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)
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


(Escherichia coli)
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



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)
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



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


(Lactobacillus casei)
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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389n/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))
BDBM50081907
PNG
(5-(3-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-4-9(7-11)6-10-8-16-13(15)17-12(10)14/h3-5,7-8H,2,6H2,1H3,(H4,14,15,16,17)
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430n/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


(Homo sapiens (Human))
BDBM50081920
PNG
(5-(3-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-2-6-19-12-5-3-4-10(8-12)7-11-9-17-14(16)18-13(11)15/h3-5,8-9H,2,6-7H2,1H3,(H4,15,16,17,18)
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510n/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


(Lactobacillus casei)
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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759n/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)
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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759n/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


(Homo sapiens (Human))
BDBM50081922
PNG
(5-(3-Isopropoxy-benzyl)-pyrimidine-2,4-diamine | C...)
Show SMILES CC(C)Oc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-9(2)19-12-5-3-4-10(7-12)6-11-8-17-14(16)18-13(11)15/h3-5,7-9H,6H2,1-2H3,(H4,15,16,17,18)
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1.40E+3n/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))
BDBM50081907
PNG
(5-(3-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-4-9(7-11)6-10-8-16-13(15)17-12(10)14/h3-5,7-8H,2,6H2,1H3,(H4,14,15,16,17)
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1.60E+3n/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))
BDBM50081920
PNG
(5-(3-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-2-6-19-12-5-3-4-10(8-12)7-11-9-17-14(16)18-13(11)15/h3-5,8-9H,2,6-7H2,1H3,(H4,15,16,17,18)
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2.40E+3n/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


(Bos taurus (Cattle))
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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2.63E+3n/an/an/an/an/an/a7.2n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine liver Dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
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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2.63E+3n/an/an/an/an/an/a7.2n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine liver Dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
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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1.48E+4n/an/an/an/an/an/a7.2n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken Dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
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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1.48E+4n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken liver 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


(Gallus gallus (Chicken))
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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1.48E+4n/an/an/an/an/an/a7.2n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken Dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
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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7.24E+4n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken liver 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)
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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1.00E+14n/an/an/an/an/an/an/an/a



Uniroyal Chemical Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition constant against binding of Escherichia coli dihydrofolate reductase


J Med Chem 31: 1396-406 (1988)


Article DOI: 10.1021/jm00402a025
More data for this
Ligand-Target Pair