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Found 61 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' AND taxid = 5823   
Target
(Institution)
LigandTarget
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


(Plasmodium berghei (strain Anka))
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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n/an/a 5.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421820
PNG
(CHEMBL440334)
Show SMILES CCCCOc1c(CCC)cc(Cc2cnc(N)nc2N)cc1CCC
Show InChI InChI=1S/C21H32N4O/c1-4-7-10-26-19-16(8-5-2)11-15(12-17(19)9-6-3)13-18-14-24-21(23)25-20(18)22/h11-12,14H,4-10,13H2,1-3H3,(H4,22,23,24,25)
PDB
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n/an/a 5.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421811
PNG
(CHEMBL116183 | TCMDC-137696)
Show SMILES CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1OCC
Show InChI InChI=1S/C17H24N4O3/c1-4-22-13-8-11(7-12-10-20-17(19)21-16(12)18)9-14(23-5-2)15(13)24-6-3/h8-10H,4-7H2,1-3H3,(H4,18,19,20,21)
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n/an/a 7.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50406029
PNG
(CHEMBL279455)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1OC
Show InChI InChI=1S/C17H24N4O/c1-4-6-13-8-11(7-12(5-2)15(13)22-3)9-14-10-20-17(19)21-16(14)18/h7-8,10H,4-6,9H2,1-3H3,(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 (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421804
PNG
(CHEMBL118877)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(CC)c1OCCCOc1ccccc1
Show InChI InChI=1S/C24H30N4O2/c1-3-18-13-17(15-20-16-27-24(26)28-23(20)25)14-19(4-2)22(18)30-12-8-11-29-21-9-6-5-7-10-21/h5-7,9-10,13-14,16H,3-4,8,11-12,15H2,1-2H3,(H4,25,26,27,28)
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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 (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421789
PNG
(CHEMBL23250 | TCMDC-137697)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(CC)c1OC
Show InChI InChI=1S/C16H22N4O/c1-4-11-6-10(7-12(5-2)14(11)21-3)8-13-9-19-16(18)20-15(13)17/h6-7,9H,4-5,8H2,1-3H3,(H4,17,18,19,20)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421803
PNG
(CHEMBL24374)
Show SMILES COc1c(cc(Cc2cnc(N)nc2N)cc1C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C20H30N4O/c1-19(2,3)14-9-12(8-13-11-23-18(22)24-17(13)21)10-15(16(14)25-7)20(4,5)6/h9-11H,8H2,1-7H3,(H4,21,22,23,24)
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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 (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421812
PNG
(CHEMBL25888)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O
Show InChI InChI=1S/C16H22N4O/c1-3-5-12-7-10(6-11(4-2)14(12)21)8-13-9-19-16(18)20-15(13)17/h6-7,9,21H,3-5,8H2,1-2H3,(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 (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50018480
PNG
(5-(4-Methoxy-3,5-dipropyl-benzyl)-pyrimidine-2,4-d...)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1OC
Show InChI InChI=1S/C18H26N4O/c1-4-6-13-8-12(9-14(7-5-2)16(13)23-3)10-15-11-21-18(20)22-17(15)19/h8-9,11H,4-7,10H2,1-3H3,(H4,19,20,21,22)
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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 (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421818
PNG
(CHEMBL280374)
Show SMILES COc1c(cc(Cc2cnc(N)nc2N)cc1C(C)C)C(C)C
Show InChI InChI=1S/C18H26N4O/c1-10(2)14-7-12(8-15(11(3)4)16(14)23-5)6-13-9-21-18(20)22-17(13)19/h7-11H,6H2,1-5H3,(H4,19,20,21,22)
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421817
PNG
(CHEMBL25817)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(CC)c1O
Show InChI InChI=1S/C15H20N4O/c1-3-10-5-9(6-11(4-2)13(10)20)7-12-8-18-15(17)19-14(12)16/h5-6,8,20H,3-4,7H2,1-2H3,(H4,16,17,18,19)
PDB
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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 (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421814
PNG
(CHEMBL120366 | TCMDC-138050)
Show SMILES COc1c(I)cc(Cc2cnc(N)nc2N)cc1I
Show InChI InChI=1S/C12H12I2N4O/c1-19-10-8(13)3-6(4-9(10)14)2-7-5-17-12(16)18-11(7)15/h3-5H,2H2,1H3,(H4,15,16,17,18)
PDB
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421785
PNG
(CHEMBL116993)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(CC)c1OCCOCc1ccccc1
Show InChI InChI=1S/C24H30N4O2/c1-3-19-12-18(14-21-15-27-24(26)28-23(21)25)13-20(4-2)22(19)30-11-10-29-16-17-8-6-5-7-9-17/h5-9,12-13,15H,3-4,10-11,14,16H2,1-2H3,(H4,25,26,27,28)
PDB
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421800
PNG
(CHEMBL332481)
Show SMILES CCOc1c(CC)cc(Cc2cnc(N)nc2N)cc1CC
Show InChI InChI=1S/C17H24N4O/c1-4-12-7-11(8-13(5-2)15(12)22-6-3)9-14-10-20-17(19)21-16(14)18/h7-8,10H,4-6,9H2,1-3H3,(H4,18,19,20,21)
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421809
PNG
(CHEMBL118367)
Show SMILES CCCCC(CC)COc1c(CC)cc(Cc2cnc(N)nc2N)cc1CC
Show InChI InChI=1S/C23H36N4O/c1-5-9-10-16(6-2)15-28-21-18(7-3)11-17(12-19(21)8-4)13-20-14-26-23(25)27-22(20)24/h11-12,14,16H,5-10,13,15H2,1-4H3,(H4,24,25,26,27)
PDB
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421796
PNG
(CHEMBL118480)
Show SMILES Nc1ncc(Cc2cc(I)c(O)c(I)c2)c(N)n1
Show InChI InChI=1S/C11H10I2N4O/c12-7-2-5(3-8(13)9(7)18)1-6-4-16-11(15)17-10(6)14/h2-4,18H,1H2,(H4,14,15,16,17)
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n/an/a 53n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50405502
PNG
(CHEMBL293013)
Show SMILES CCc1ccc(Cc2cnc(N)nc2N)cc1CC
Show InChI InChI=1S/C15H20N4/c1-3-11-6-5-10(7-12(11)4-2)8-13-9-18-15(17)19-14(13)16/h5-7,9H,3-4,8H2,1-2H3,(H4,16,17,18,19)
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n/an/a 68n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Plasmodium berghei


J Med Chem 30: 1998-2004 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50405501
PNG
(CHEMBL57582)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(CC)c1CC
Show InChI InChI=1S/C17H24N4/c1-4-12-7-11(8-13(5-2)15(12)6-3)9-14-10-20-17(19)21-16(14)18/h7-8,10H,4-6,9H2,1-3H3,(H4,18,19,20,21)
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n/an/a 73n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Plasmodium berghei


J Med Chem 30: 1998-2004 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421810
PNG
(CHEMBL24155)
Show SMILES COc1c(C)cc(Cc2cnc(N)nc2N)cc1C(C)(C)C
Show InChI InChI=1S/C17H24N4O/c1-10-6-11(7-12-9-20-16(19)21-15(12)18)8-13(14(10)22-5)17(2,3)4/h6,8-9H,7H2,1-5H3,(H4,18,19,20,21)
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n/an/a 77n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421792
PNG
(CHEMBL440946)
Show SMILES CC(C)c1cc(Cc2cnc(N)nc2N)cc(C(C)C)c1O
Show InChI InChI=1S/C17H24N4O/c1-9(2)13-6-11(7-14(10(3)4)15(13)22)5-12-8-20-17(19)21-16(12)18/h6-10,22H,5H2,1-4H3,(H4,18,19,20,21)
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
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 120n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Plasmodium berghei


J Med Chem 30: 1998-2004 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
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 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
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)
PDB
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against dihydrofolate reductase enzyme of Plasmodium berghei


J Med Chem 23: 535-41 (1980)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
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 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase enzyme purified from Plasmodium berghei.


J Med Chem 23: 379-84 (1980)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421786
PNG
(CHEMBL287553)
Show SMILES COc1c(C)cc(Cc2cnc(N)nc2N)cc1C
Show InChI InChI=1S/C14H18N4O/c1-8-4-10(5-9(2)12(8)19-3)6-11-7-17-14(16)18-13(11)15/h4-5,7H,6H2,1-3H3,(H4,15,16,17,18)
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421791
PNG
(CHEMBL23447)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(C)c1OC
Show InChI InChI=1S/C15H20N4O/c1-4-11-6-10(5-9(2)13(11)20-3)7-12-8-18-15(17)19-14(12)16/h5-6,8H,4,7H2,1-3H3,(H4,16,17,18,19)
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421806
PNG
(CHEMBL277176)
Show SMILES CC(C)(C)c1cc(Cc2cnc(N)nc2N)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C19H28N4O/c1-18(2,3)13-8-11(9-14(15(13)24)19(4,5)6)7-12-10-22-17(21)23-16(12)20/h8-10,24H,7H2,1-6H3,(H4,20,21,22,23)
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
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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n/an/a 210n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Plasmodium berghei


J Med Chem 30: 1998-2004 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
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 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
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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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase enzyme purified from Plasmodium berghei.


J Med Chem 23: 379-84 (1980)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50138701
PNG
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Show SMILES COc1cc(Cc2c(C)nc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19)
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n/an/a 340n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase enzyme purified from Plasmodium berghei.


J Med Chem 23: 379-84 (1980)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50138701
PNG
(6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,...)
Show SMILES COc1cc(Cc2c(C)nc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C15H20N4O3/c1-8-10(14(16)19-15(17)18-8)5-9-6-11(20-2)13(22-4)12(7-9)21-3/h6-7H,5H2,1-4H3,(H4,16,17,18,19)
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against dihydrofolate reductase enzyme of Plasmodium berghei


J Med Chem 23: 535-41 (1980)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421821
PNG
(CHEMBL120368)
Show SMILES CCCCCCCCCCCCOc1c(CC)cc(Cc2cnc(N)nc2N)cc1CC
Show InChI InChI=1S/C27H44N4O/c1-4-7-8-9-10-11-12-13-14-15-16-32-25-22(5-2)17-21(18-23(25)6-3)19-24-20-30-27(29)31-26(24)28/h17-18,20H,4-16,19H2,1-3H3,(H4,28,29,30,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


J Med Chem 30: 348-56 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50404463
PNG
(CHEMBL339058)
Show SMILES COc1cc(Cc2c(C)nc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C14H18N4O3/c1-7-9(13(15)18-14(16)17-7)4-8-5-10(20-2)12(19)11(6-8)21-3/h5-6,19H,4H2,1-3H3,(H4,15,16,17,18)
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against dihydrofolate reductase enzyme of Plasmodium berghei


J Med Chem 23: 535-41 (1980)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50404463
PNG
(CHEMBL339058)
Show SMILES COc1cc(Cc2c(C)nc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C14H18N4O3/c1-7-9(13(15)18-14(16)17-7)4-8-5-10(20-2)12(19)11(6-8)21-3/h5-6,19H,4H2,1-3H3,(H4,15,16,17,18)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase enzyme purified from Plasmodium berghei.


J Med Chem 23: 379-84 (1980)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50421660
PNG
(CHEMBL149353)
Show SMILES CCCc1nc(N)nc(N)c1Cc1cc(OC)c(O)c(OC)c1
Show InChI InChI=1S/C16H22N4O3/c1-4-5-11-10(15(17)20-16(18)19-11)6-9-7-12(22-2)14(21)13(8-9)23-3/h7-8,21H,4-6H2,1-3H3,(H4,17,18,19,20)
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against dihydrofolate reductase enzyme of Plasmodium berghei


J Med Chem 23: 535-41 (1980)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli-Mycobacterium avium)
BDBM50165442
PNG
(2-Amino-5-(4-bromo-phenylsulfanyl)-6-methyl-3,7-di...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1
Show InChI InChI=1S/C13H11BrN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Plasmodium berghei (strain Anka))
BDBM50404477
PNG
(CHEMBL150538)
Show SMILES COc1cc(Cc2c(N)nc(N)nc2SC)cc(OC)c1OC
Show InChI InChI=1S/C15H20N4O3S/c1-20-10-6-8(7-11(21-2)12(10)22-3)5-9-13(16)18-15(17)19-14(9)23-4/h6-7H,5H2,1-4H3,(H4,16,17,18,19)
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of Plasmodium berghei dihydrofolate reductase enzyme


J Med Chem 23: 535-41 (1980)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli-Mycobacterium avium)
BDBM50165447
PNG
(2-Amino-5-(3,5-bis-trifluoromethyl-phenylsulfanyl)...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H10F6N4OS/c1-5-10(9-11(23-5)24-13(22)25-12(9)26)27-8-3-6(14(16,17)18)2-7(4-8)15(19,20)21/h2-4H,1H3,(H4,22,23,24,25,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli-Mycobacterium avium)
BDBM50165444
PNG
(2-Amino-5-(4-bromo-3-nitro-phenylsulfanyl)-6-methy...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli-Mycobacterium avium)
BDBM50165450
PNG
(2-Amino-5-(4-bromo-3-chloro-phenylsulfanyl)-6-meth...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(Cl)c1
Show InChI InChI=1S/C13H10BrClN4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
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n/an/a>2.60E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli-Mycobacterium avium)
BDBM50165443
PNG
(2-Amino-5-(3,5-dinitro-phenylsulfanyl)-6-methyl-3,...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C13H10N6O5S/c1-5-10(9-11(15-5)16-13(14)17-12(9)20)25-8-3-6(18(21)22)2-7(4-8)19(23)24/h2-4H,1H3,(H4,14,15,16,17,20)
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n/an/a>2.70E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli-Mycobacterium avium)
BDBM50165451
PNG
(2-Amino-6-methyl-5-(4-trifluoromethoxy-phenylsulfa...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H11F3N4O2S/c1-6-10(9-11(19-6)20-13(18)21-12(9)22)24-8-4-2-7(3-5-8)23-14(15,16)17/h2-5H,1H3,(H4,18,19,20,21,22)
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n/an/a>2.80E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli-Mycobacterium avium)
BDBM50165452
PNG
(2-Amino-5-(4-chloro-3-nitro-phenylsulfanyl)-6-meth...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10ClN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20)
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n/an/a>2.80E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli-Mycobacterium avium)
BDBM50165439
PNG
(2-Amino-5-(3-bromo-phenylsulfanyl)-6-methyl-3,7-di...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc(Br)c1
Show InChI InChI=1S/C13H11BrN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
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n/an/a>2.80E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli-Mycobacterium avium)
BDBM50165438
PNG
(2-Amino-6-methyl-5-(4-trifluoromethyl-phenylsulfan...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4OS/c1-6-10(9-11(19-6)20-13(18)21-12(9)22)23-8-4-2-7(3-5-8)14(15,16)17/h2-5H,1H3,(H4,18,19,20,21,22)
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n/an/a>2.90E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli-Mycobacterium avium)
BDBM50165440
PNG
(2-Amino-5-(3,5-dichloro-phenylsulfanyl)-6-methyl-3...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-8-3-6(14)2-7(15)4-8)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
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n/an/a>2.90E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli-Mycobacterium avium)
BDBM50165448
PNG
(2-Amino-5-(3-chloro-4-fluoro-phenylsulfanyl)-6-met...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C13H10ClFN4OS/c1-5-10(21-6-2-3-8(15)7(14)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
PDB

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n/an/a>3.10E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli-Mycobacterium avium)
BDBM50165445
PNG
(2-Amino-5-(3,5-difluoro-phenylsulfanyl)-6-methyl-3...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(F)cc(F)c1
Show InChI InChI=1S/C13H10F2N4OS/c1-5-10(21-8-3-6(14)2-7(15)4-8)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
PDB

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CHEMBL
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UniChem

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Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli-Mycobacterium avium)
BDBM50165449
PNG
(2-Amino-5-(3,4-difluoro-phenylsulfanyl)-6-methyl-3...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)c(F)c1
Show InChI InChI=1S/C13H10F2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
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