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PubMed code 3312605

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
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)
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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PubMed
n/an/a 5n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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 10n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
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 10n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
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 50n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
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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n/an/a 50n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
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)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
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)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
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 90n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
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 90n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
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)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
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)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50405500
PNG
(CHEMBL60883)
Show SMILES CCc1ccc(Cc2cnc(N)nc2N)cc1C(C)C
Show InChI InChI=1S/C16H22N4/c1-4-12-6-5-11(8-14(12)10(2)3)7-13-9-19-16(18)20-15(13)17/h5-6,8-10H,4,7H2,1-3H3,(H4,17,18,19,20)
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n/an/a 280n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50405499
PNG
(CHEMBL59703)
Show SMILES CC(C)(C)c1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C15H20N4/c1-15(2,3)12-6-4-10(5-7-12)8-11-9-18-14(17)19-13(11)16/h4-7,9H,8H2,1-3H3,(H4,16,17,18,19)
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n/an/a 400n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
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 450n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Neisseria gonorrhoeae


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 500n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50405504
PNG
(CHEMBL60029)
Show SMILES CCc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C13H16N4/c1-2-9-3-5-10(6-4-9)7-11-8-16-13(15)17-12(11)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)
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n/an/a 650n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50405503
PNG
(CHEMBL61287)
Show SMILES CC(C)c1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C14H18N4/c1-9(2)11-5-3-10(4-6-11)7-12-8-17-14(16)18-13(12)15/h3-6,8-9H,7H2,1-2H3,(H4,15,16,17,18)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coli


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50405500
PNG
(CHEMBL60883)
Show SMILES CCc1ccc(Cc2cnc(N)nc2N)cc1C(C)C
Show InChI InChI=1S/C16H22N4/c1-4-12-6-5-11(8-14(12)10(2)3)7-13-9-19-16(18)20-15(13)17/h5-6,8-10H,4,7H2,1-3H3,(H4,17,18,19,20)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
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 3.30E+4n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
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 3.80E+4n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50405504
PNG
(CHEMBL60029)
Show SMILES CCc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C13H16N4/c1-2-9-3-5-10(6-4-9)7-11-8-16-13(15)17-12(11)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
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 5.90E+4n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
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 7.80E+4n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
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 1.20E+5n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
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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n/an/a 1.70E+5n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50405503
PNG
(CHEMBL61287)
Show SMILES CC(C)c1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C14H18N4/c1-9(2)11-5-3-10(4-6-11)7-12-8-17-14(16)18-13(12)15/h3-6,8-9H,7H2,1-2H3,(H4,15,16,17,18)
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n/an/a 2.10E+5n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50405499
PNG
(CHEMBL59703)
Show SMILES CC(C)(C)c1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C15H20N4/c1-15(2,3)12-6-4-10(5-7-12)8-11-9-18-14(17)19-13(11)16/h4-7,9H,8H2,1-3H3,(H4,16,17,18,19)
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n/an/a 2.30E+5n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
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 2.60E+5n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from rat liver


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Gallus gallus (Chicken))
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 3.00E+5n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
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 7.30E+5n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liver


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%