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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50405962'   
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)
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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588n/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)


BindingDB Entry DOI: 10.7270/Q2P55QQJ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



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)


BindingDB Entry DOI: 10.7270/Q2GF0WQM
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)


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


(Escherichia coli)
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



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)


BindingDB Entry DOI: 10.7270/Q2BV7JTC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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



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)


BindingDB Entry DOI: 10.7270/Q2WH2S6T
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
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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2.14E+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)


BindingDB Entry DOI: 10.7270/Q2DF6TDD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
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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2.14E+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)


BindingDB Entry DOI: 10.7270/Q2DF6TDD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
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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2.14E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from bovine liver


J Med Chem 24: 538-44 (1981)


BindingDB Entry DOI: 10.7270/Q2GF0WQM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
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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4.17E+3n/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)


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


(Lactobacillus casei)
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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4.17E+3n/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)


BindingDB Entry DOI: 10.7270/Q2WH2S6T
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
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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2.00E+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)


BindingDB Entry DOI: 10.7270/Q2DF6TDD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
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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2.00E+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)


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


(Gallus gallus (Chicken))
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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2.00E+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)


BindingDB Entry DOI: 10.7270/Q2DF6TDD
More data for this
Ligand-Target Pair