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Compile Data Set for Download or QSAR

Found 39 hits of ic50 for UniProtKB: P00382   
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 type 1


(Escherichia coli)
BDBM50421863
PNG
(CHEMBL57377)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2c(C)cc(C)nc12
Show InChI InChI=1S/C17H19N5O/c1-9-4-10(2)21-15-13(9)6-11(7-14(15)23-3)5-12-8-20-17(19)22-16(12)18/h4,6-8H,5H2,1-3H3,(H4,18,19,20,22)
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n/an/a 1.90n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50406007
PNG
(CHEMBL418293)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=C(F)C(C)(CF)Nc12
Show InChI InChI=1S/C18H21F2N5O/c1-9-12-5-10(4-11-7-23-17(22)24-16(11)21)6-13(26-3)14(12)25-18(2,8-19)15(9)20/h5-7,25H,4,8H2,1-3H3,(H4,21,22,23,24)
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n/an/a 2n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421845
PNG
(CHEMBL58455)
Show SMILES Cc1ccnc2c(cc(Cc3cnc(N)nc3N)cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H14N6O2/c1-8-2-3-18-13-11(8)5-9(6-12(13)21(22)23)4-10-7-19-15(17)20-14(10)16/h2-3,5-7H,4H2,1H3,(H4,16,17,19,20)
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Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421850
PNG
(CHEMBL57458)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc2C(C)CCN(C)c12
Show InChI InChI=1S/C18H25N5/c1-4-13-7-12(8-14-10-21-18(20)22-17(14)19)9-15-11(2)5-6-23(3)16(13)15/h7,9-11H,4-6,8H2,1-3H3,(H4,19,20,21,22)
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n/an/a 2.40n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50406009
PNG
(CHEMBL300371)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)Nc12
Show InChI InChI=1S/C19H25N5/c1-5-13-6-12(7-14-10-22-18(21)23-17(14)20)8-15-11(2)9-19(3,4)24-16(13)15/h6,8-10,24H,5,7H2,1-4H3,(H4,20,21,22,23)
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n/an/a 2.60n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50406004
PNG
(CHEMBL300385)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)N(C)c12
Show InChI InChI=1S/C19H25N5O/c1-11-9-19(2,3)24(4)16-14(11)7-12(8-15(16)25-5)6-13-10-22-18(21)23-17(13)20/h7-10H,6H2,1-5H3,(H4,20,21,22,23)
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n/an/a 3.10n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50406016
PNG
(CHEMBL294678)
Show SMILES CC1=CC(C)(C)Nc2c(Cl)cc(Cc3cnc(N)nc3N)cc12
Show InChI InChI=1S/C17H20ClN5/c1-9-7-17(2,3)23-14-12(9)5-10(6-13(14)18)4-11-8-21-16(20)22-15(11)19/h5-8,23H,4H2,1-3H3,(H4,19,20,21,22)
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n/an/a 3.40n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(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 6n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50406010
PNG
(CHEMBL59491)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)CCN(C)c12
Show InChI InChI=1S/C17H23N5O/c1-10-4-5-22(2)15-13(10)7-11(8-14(15)23-3)6-12-9-20-17(19)21-16(12)18/h7-10H,4-6H2,1-3H3,(H4,18,19,20,21)
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n/an/a 6.80n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50406010
PNG
(CHEMBL59491)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)CCN(C)c12
Show InChI InChI=1S/C17H23N5O/c1-10-4-5-22(2)15-13(10)7-11(8-14(15)23-3)6-12-9-20-17(19)21-16(12)18/h7-10H,4-6H2,1-3H3,(H4,18,19,20,21)
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n/an/a 6.80n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50406021
PNG
(CHEMBL60647)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)CC(C)(C)Nc12
Show InChI InChI=1S/C18H25N5O/c1-10-8-18(2,3)23-15-13(10)6-11(7-14(15)24-4)5-12-9-21-17(20)22-16(12)19/h6-7,9-10,23H,5,8H2,1-4H3,(H4,19,20,21,22)
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n/an/a 7n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421852
PNG
(CHEMBL57807)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2CC(COC(C)=O)CNc12
Show InChI InChI=1S/C18H23N5O3/c1-10(24)26-9-12-5-13-3-11(6-15(25-2)16(13)21-7-12)4-14-8-22-18(20)23-17(14)19/h3,6,8,12,21H,4-5,7,9H2,1-2H3,(H4,19,20,22,23)
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n/an/a 7.40n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50406018
PNG
(CHEMBL58038)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)CCNc12
Show InChI InChI=1S/C16H21N5O/c1-9-3-4-19-14-12(9)6-10(7-13(14)22-2)5-11-8-20-16(18)21-15(11)17/h6-9,19H,3-5H2,1-2H3,(H4,17,18,20,21)
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n/an/a 8.10n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50406018
PNG
(CHEMBL58038)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)CCNc12
Show InChI InChI=1S/C16H21N5O/c1-9-3-4-19-14-12(9)6-10(7-13(14)22-2)5-11-8-20-16(18)21-15(11)17/h6-9,19H,3-5H2,1-2H3,(H4,17,18,20,21)
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n/an/a 8.10n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421842
PNG
(CHEMBL58074)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)CCN(CCO)c12
Show InChI InChI=1S/C18H25N5O2/c1-11-3-4-23(5-6-24)16-14(11)8-12(9-15(16)25-2)7-13-10-21-18(20)22-17(13)19/h8-11,24H,3-7H2,1-2H3,(H4,19,20,21,22)
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n/an/a 12n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421856
PNG
(CHEMBL59283)
Show SMILES Cc1ccnc2ccc(Cc3cnc(N)nc3N)cc12
Show InChI InChI=1S/C15H15N5/c1-9-4-5-18-13-3-2-10(7-12(9)13)6-11-8-19-15(17)20-14(11)16/h2-5,7-8H,6H2,1H3,(H4,16,17,19,20)
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n/an/a 14n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50406019
PNG
(CHEMBL300370)
Show SMILES CC1=CC(C)(C)Nc2c(C)cc(Cc3cnc(N)nc3N)cc12
Show InChI InChI=1S/C18H23N5/c1-10-5-12(6-13-9-21-17(20)22-16(13)19)7-14-11(2)8-18(3,4)23-15(10)14/h5,7-9,23H,6H2,1-4H3,(H4,19,20,21,22)
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n/an/a 15.4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421860
PNG
(CHEMBL292839)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)CCN(CCOC(C)=O)c12
Show InChI InChI=1S/C20H27N5O3/c1-12-4-5-25(6-7-28-13(2)26)18-16(12)9-14(10-17(18)27-3)8-15-11-23-20(22)24-19(15)21/h9-12H,4-8H2,1-3H3,(H4,21,22,23,24)
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n/an/a 16n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421862
PNG
(CHEMBL293325)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2cccnc12
Show InChI InChI=1S/C15H15N5O/c1-21-12-7-9(5-10-3-2-4-18-13(10)12)6-11-8-19-15(17)20-14(11)16/h2-5,7-8H,6H2,1H3,(H4,16,17,19,20)
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n/an/a 17n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421841
PNG
(CHEMBL57812)
Show SMILES CCOC(=O)C1CNc2c(C1)cc(Cc1cnc(N)nc1N)cc2OC
Show InChI InChI=1S/C18H23N5O3/c1-3-26-17(24)13-7-11-4-10(6-14(25-2)15(11)21-9-13)5-12-8-22-18(20)23-16(12)19/h4,6,8,13,21H,3,5,7,9H2,1-2H3,(H4,19,20,22,23)
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n/an/a 19n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421855
PNG
(CHEMBL293977)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2CC(CO)CNc12
Show InChI InChI=1S/C16H21N5O2/c1-23-13-5-9(3-12-7-20-16(18)21-15(12)17)2-11-4-10(8-22)6-19-14(11)13/h2,5,7,10,19,22H,3-4,6,8H2,1H3,(H4,17,18,20,21)
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n/an/a 22n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421843
PNG
(CHEMBL58075)
Show SMILES COCCN1CCC(C)c2cc(Cc3cnc(N)nc3N)cc(OC)c12
Show InChI InChI=1S/C19H27N5O2/c1-12-4-5-24(6-7-25-2)17-15(12)9-13(10-16(17)26-3)8-14-11-22-19(21)23-18(14)20/h9-12H,4-8H2,1-3H3,(H4,20,21,22,23)
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n/an/a 23n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421853
PNG
(CHEMBL58744)
Show SMILES Cc1ccnc2c(N)cc(Cc3cnc(N)nc3N)cc12
Show InChI InChI=1S/C15H16N6/c1-8-2-3-19-13-11(8)5-9(6-12(13)16)4-10-7-20-15(18)21-14(10)17/h2-3,5-7H,4,16H2,1H3,(H4,17,18,20,21)
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n/an/a 25n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421859
PNG
(CHEMBL60636)
Show SMILES CC1CC(C)c2cc(Cc3cnc(N)nc3N)cc(Cl)c2N1
Show InChI InChI=1S/C16H20ClN5/c1-8-3-9(2)21-14-12(8)5-10(6-13(14)17)4-11-7-20-16(19)22-15(11)18/h5-9,21H,3-4H2,1-2H3,(H4,18,19,20,22)
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n/an/a 30n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421857
PNG
(CHEMBL57900)
Show SMILES COCCOc1cc(Cc2cnc(N)nc2N)cc2cccnc12
Show InChI InChI=1S/C17H19N5O2/c1-23-5-6-24-14-9-11(7-12-3-2-4-20-15(12)14)8-13-10-21-17(19)22-16(13)18/h2-4,7,9-10H,5-6,8H2,1H3,(H4,18,19,21,22)
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n/an/a 43n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421847
PNG
(CHEMBL301628)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2CCCNc12
Show InChI InChI=1S/C15H19N5O/c1-21-12-7-9(5-10-3-2-4-18-13(10)12)6-11-8-19-15(17)20-14(11)16/h5,7-8,18H,2-4,6H2,1H3,(H4,16,17,19,20)
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n/an/a 44n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421851
PNG
(CHEMBL57829)
Show SMILES CCN1CC(CO)Cc2cc(Cc3cnc(N)nc3N)cc(OC)c12
Show InChI InChI=1S/C18H25N5O2/c1-3-23-9-12(10-24)6-13-4-11(7-15(25-2)16(13)23)5-14-8-21-18(20)22-17(14)19/h4,7-8,12,24H,3,5-6,9-10H2,1-2H3,(H4,19,20,21,22)
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n/an/a 49n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50406017
PNG
(CHEMBL61305)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)N(CCOC(C)=O)c12
Show InChI InChI=1S/C22H29N5O3/c1-13-11-22(3,4)27(6-7-30-14(2)28)19-17(13)9-15(10-18(19)29-5)8-16-12-25-21(24)26-20(16)23/h9-12H,6-8H2,1-5H3,(H4,23,24,25,26)
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n/an/a 54n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421846
PNG
(CHEMBL61260)
Show SMILES COCCOc1cc(Cc2cnc(N)nc2N)cc2CCCNc12
Show InChI InChI=1S/C17H23N5O2/c1-23-5-6-24-14-9-11(7-12-3-2-4-20-15(12)14)8-13-10-21-17(19)22-16(13)18/h7,9-10,20H,2-6,8H2,1H3,(H4,18,19,21,22)
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n/an/a 57n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421858
PNG
(CHEMBL56652)
Show SMILES CCN1CCC(C)c2cc(Cc3cnc(N)nc3N)ccc12
Show InChI InChI=1S/C17H23N5/c1-3-22-7-6-11(2)14-9-12(4-5-15(14)22)8-13-10-20-17(19)21-16(13)18/h4-5,9-11H,3,6-8H2,1-2H3,(H4,18,19,20,21)
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n/an/a 74n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421861
PNG
(CHEMBL57459)
Show SMILES Nc1ncc(Cc2ccc3ncccc3c2)c(N)n1
Show InChI InChI=1S/C14H13N5/c15-13-11(8-18-14(16)19-13)7-9-3-4-12-10(6-9)2-1-5-17-12/h1-6,8H,7H2,(H4,15,16,18,19)
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n/an/a 90n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421854
PNG
(CHEMBL60632)
Show SMILES CC1CCNc2ccc(Cc3cnc(N)nc3N)cc12
Show InChI InChI=1S/C15H19N5/c1-9-4-5-18-13-3-2-10(7-12(9)13)6-11-8-19-15(17)20-14(11)16/h2-3,7-9,18H,4-6H2,1H3,(H4,16,17,19,20)
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n/an/a 130n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50406008
PNG
(CHEMBL60931)
Show SMILES CC1CC(C)(C)Nc2ccc(Cc3cnc(N)nc3N)cc12
Show InChI InChI=1S/C17H23N5/c1-10-8-17(2,3)22-14-5-4-11(7-13(10)14)6-12-9-20-16(19)21-15(12)18/h4-5,7,9-10,22H,6,8H2,1-3H3,(H4,18,19,20,21)
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n/an/a 150n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421848
PNG
(CHEMBL60582)
Show SMILES CN1CCCc2cc(Cc3cnc(N)nc3N)ccc12
Show InChI InChI=1S/C15H19N5/c1-20-6-2-3-11-7-10(4-5-13(11)20)8-12-9-18-15(17)19-14(12)16/h4-5,7,9H,2-3,6,8H2,1H3,(H4,16,17,18,19)
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n/an/a 156n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50406014
PNG
(CHEMBL58079)
Show SMILES CC1=CC(C)(C)Nc2ccc(Cc3cnc(N)nc3N)cc12
Show InChI InChI=1S/C17H21N5/c1-10-8-17(2,3)22-14-5-4-11(7-13(10)14)6-12-9-20-16(19)21-15(12)18/h4-5,7-9,22H,6H2,1-3H3,(H4,18,19,20,21)
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n/an/a 170n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421849
PNG
(CHEMBL292621)
Show SMILES CCOC(=O)C1CNc2c(OC)cc(Cc3cnc(N)nc3N)c(OC)c2C1
Show InChI InChI=1S/C19H25N5O4/c1-4-28-18(25)12-6-13-15(22-9-12)14(26-2)7-10(16(13)27-3)5-11-8-23-19(21)24-17(11)20/h7-8,12,22H,4-6,9H2,1-3H3,(H4,20,21,23,24)
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n/an/a 220n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421864
PNG
(CHEMBL441616)
Show SMILES Cc1ccnc2ccc(Cc3cnc(N)nc3N)c(N)c12
Show InChI InChI=1S/C15H16N6/c1-8-4-5-19-11-3-2-9(13(16)12(8)11)6-10-7-20-15(18)21-14(10)17/h2-5,7H,6,16H2,1H3,(H4,17,18,20,21)
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n/an/a 290n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50421844
PNG
(CHEMBL58917)
Show SMILES Nc1ncc(Cc2ccc3NCCCc3c2)c(N)n1
Show InChI InChI=1S/C14H17N5/c15-13-11(8-18-14(16)19-13)7-9-3-4-12-10(6-9)2-1-5-17-12/h3-4,6,8,17H,1-2,5,7H2,(H4,15,16,18,19)
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n/an/a 450n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(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 500n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity to dihydrofolate reductase in Escherichia coli


J Med Chem 32: 1927-35 (1989)


Article DOI: 10.1021/jm00128a040
BindingDB Entry DOI: 10.7270/Q2W66N37
More data for this
Ligand-Target Pair