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PubMed code 19716698

Compile data set for download or QSAR
Found 35 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 (DHFR)


(Bos taurus (Cattle))
BDBM50378368
PNG
(CHEMBL584171)
Show SMILES CC1(C)N=C(N)N=C(N)N1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H15Cl2N5/c1-12(2)18-10(15)17-11(16)19(12)6-7-3-4-8(13)9(14)5-7/h3-5H,6H2,1-2H3,(H4,15,16,17,18)
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n/an/a 1.28E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378364
PNG
(CHEMBL116028)
Show SMILES CC1(C)N=C(N)N=C(N)N1Cc1ccccc1
Show InChI InChI=1S/C12H17N5/c1-12(2)16-10(13)15-11(14)17(12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H4,13,14,15,16)
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n/an/a 1.95E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378366
PNG
(CHEMBL582969)
Show SMILES Cc1ccc(CN2C(N)=NC(N)=NC2(C)C)cc1
Show InChI InChI=1S/C13H19N5/c1-9-4-6-10(7-5-9)8-18-12(15)16-11(14)17-13(18,2)3/h4-7H,8H2,1-3H3,(H4,14,15,16,17)
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n/an/a 2.46E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378365
PNG
(CHEMBL574661)
Show SMILES CC1(C)N=C(N)N=C(N)N1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C12H16ClN5/c1-12(2)17-10(14)16-11(15)18(12)7-8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H4,14,15,16,17)
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n/an/a 2.99E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378367
PNG
(CHEMBL573962)
Show SMILES COc1ccc(CN2C(N)=NC(N)=NC2(C)C)cc1
Show InChI InChI=1S/C13H19N5O/c1-13(2)17-11(14)16-12(15)18(13)8-9-4-6-10(19-3)7-5-9/h4-7H,8H2,1-3H3,(H4,14,15,16,17)
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n/an/a 5.88E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378375
PNG
(CHEMBL574657)
Show SMILES Cc1ccccc1N1C(N)=NC(N)=NC11CCCCC1
Show InChI InChI=1S/C15H21N5/c1-11-7-3-4-8-12(11)20-14(17)18-13(16)19-15(20)9-5-2-6-10-15/h3-4,7-8H,2,5-6,9-10H2,1H3,(H4,16,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378378
PNG
(CHEMBL573514)
Show SMILES COc1ccccc1N1C(N)=NC(N)=NC11CCCCC1
Show InChI InChI=1S/C15H21N5O/c1-21-12-8-4-3-7-11(12)20-14(17)18-13(16)19-15(20)9-5-2-6-10-15/h3-4,7-8H,2,5-6,9-10H2,1H3,(H4,16,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378379
PNG
(CHEMBL575299)
Show SMILES COc1cccc(c1)N1C(N)=NC(N)=NC11CCCCC1
Show InChI InChI=1S/C15H21N5O/c1-21-12-7-5-6-11(10-12)20-14(17)18-13(16)19-15(20)8-3-2-4-9-15/h5-7,10H,2-4,8-9H2,1H3,(H4,16,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378383
PNG
(CHEMBL582944)
Show SMILES CC1(C)NC(Nc2cccc(Cl)c2)=NC(N)=N1
Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(17-11)14-8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378384
PNG
(CHEMBL533117)
Show SMILES CC1(C)NC(Nc2ccc(Cl)cc2)=NC(N)=N1
Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(17-11)14-8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378361
PNG
(CHEMBL575917)
Show SMILES NC1=NC2(CCCCC2)N(C(N)=N1)c1ccccc1Cl
Show InChI InChI=1S/C14H18ClN5/c15-10-6-2-3-7-11(10)20-13(17)18-12(16)19-14(20)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2,(H4,16,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378374
PNG
(CHEMBL585168)
Show SMILES Nc1nc(CCl)nc(Nc2cccc(Br)c2)n1
Show InChI InChI=1S/C10H9BrClN5/c11-6-2-1-3-7(4-6)14-10-16-8(5-12)15-9(13)17-10/h1-4H,5H2,(H3,13,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378391
PNG
(CHEMBL573444)
Show SMILES COc1ccccc1NC1=NC(N)=NC(C)(C)N1
Show InChI InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(17-12)14-8-6-4-5-7-9(8)18-3/h4-7H,1-3H3,(H4,13,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378392
PNG
(CHEMBL573445)
Show SMILES COc1cccc(NC2=NC(N)=NC(C)(C)N2)c1
Show InChI InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(17-12)14-8-5-4-6-9(7-8)18-3/h4-7H,1-3H3,(H4,13,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378360
PNG
(CHEMBL574411)
Show SMILES NC1=NC2(CCCCC2)N(C(N)=N1)c1ccccc1
Show InChI InChI=1S/C14H19N5/c15-12-17-13(16)19(11-7-3-1-4-8-11)14(18-12)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2,(H4,15,16,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378362
PNG
(CHEMBL582902)
Show SMILES NC1=NC2(CCCCC2)N(C(N)=N1)c1cccc(Cl)c1
Show InChI InChI=1S/C14H18ClN5/c15-10-5-4-6-11(9-10)20-13(17)18-12(16)19-14(20)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378372
PNG
(CHEMBL574843)
Show SMILES Nc1nc(CCl)nc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C10H9ClN6O2/c11-5-8-14-9(12)16-10(15-8)13-6-2-1-3-7(4-6)17(18)19/h1-4H,5H2,(H3,12,13,14,15,16)
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National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378377
PNG
(CHEMBL573513)
Show SMILES Cc1ccc(cc1)N1C(N)=NC(N)=NC11CCCCC1
Show InChI InChI=1S/C15H21N5/c1-11-5-7-12(8-6-11)20-14(17)18-13(16)19-15(20)9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H4,16,17,18,19)
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National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378380
PNG
(CHEMBL583757)
Show SMILES COc1ccc(cc1)N1C(N)=NC(N)=NC11CCCCC1
Show InChI InChI=1S/C15H21N5O/c1-21-12-7-5-11(6-8-12)20-14(17)18-13(16)19-15(20)9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H4,16,17,18,19)
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National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378385
PNG
(CHEMBL573515)
Show SMILES CC1(C)NC(Nc2ccccc2Br)=NC(N)=N1
Show InChI InChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(17-11)14-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H4,13,14,15,16,17)
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National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378386
PNG
(CHEMBL582877)
Show SMILES CC1(C)NC(Nc2cccc(Br)c2)=NC(N)=N1
Show InChI InChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(17-11)14-8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16,17)
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National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378393
PNG
(CHEMBL574658)
Show SMILES COc1ccc(NC2=NC(N)=NC(C)(C)N2)cc1
Show InChI InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(17-12)14-8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16,17)
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National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378369
PNG
(CHEMBL575300)
Show SMILES Cc1nc(N)nc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C10H10ClN5/c1-6-13-9(12)16-10(14-6)15-8-4-2-3-7(11)5-8/h2-5H,1H3,(H3,12,13,14,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378390
PNG
(CHEMBL583174)
Show SMILES Cc1ccc(NC2=NC(N)=NC(C)(C)N2)cc1
Show InChI InChI=1S/C12H17N5/c1-8-4-6-9(7-5-8)14-11-15-10(13)16-12(2,3)17-11/h4-7H,1-3H3,(H4,13,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378363
PNG
(CHEMBL574656)
Show SMILES NC1=NC2(CCCCC2)N(C(N)=N1)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H18ClN5/c15-10-4-6-11(7-5-10)20-13(17)18-12(16)19-14(20)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H4,16,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378373
PNG
(CHEMBL573275)
Show SMILES Nc1nc(CCl)nc(Nc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C10H8Cl3N5/c11-4-8-16-9(14)18-10(17-8)15-5-1-2-6(12)7(13)3-5/h1-3H,4H2,(H3,14,15,16,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378382
PNG
(CHEMBL573274)
Show SMILES CC1(C)NC(Nc2ccccc2Cl)=NC(N)=N1
Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(17-11)14-8-6-4-3-5-7(8)12/h3-6H,1-2H3,(H4,13,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378370
PNG
(CHEMBL584569)
Show SMILES Cc1nc(N)nc(Nc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C10H9Cl2N5/c1-5-14-9(13)17-10(15-5)16-6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H3,13,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378381
PNG
(CHEMBL574189)
Show SMILES CC1(C)NC(Nc2ccccc2)=NC(N)=N1
Show InChI InChI=1S/C11H15N5/c1-11(2)15-9(12)14-10(16-11)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,12,13,14,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378371
PNG
(CHEMBL583755)
Show SMILES Cc1nc(N)nc(Nc2cccc(Br)c2)n1
Show InChI InChI=1S/C10H10BrN5/c1-6-13-9(12)16-10(14-6)15-8-4-2-3-7(11)5-8/h2-5H,1H3,(H3,12,13,14,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM89512
PNG
(5-(3-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,...)
Show SMILES Cc1cccc(c1)N1C(N)=NC(N)=NC11CCCCC1
Show InChI InChI=1S/C15H21N5/c1-11-6-5-7-12(10-11)20-14(17)18-13(16)19-15(20)8-3-2-4-9-15/h5-7,10H,2-4,8-9H2,1H3,(H4,16,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50003655
PNG
(PHENYTOIN | Phenytoin)
Show SMILES O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378389
PNG
(CHEMBL583584 | GNF-PF-2559)
Show SMILES Cc1cccc(c1)N=C1NC(C)(C)NC(N)=N1
Show InChI InChI=1S/C12H17N5/c1-8-5-4-6-9(7-8)14-11-15-10(13)16-12(2,3)17-11/h4-7H,1-3H3,(H4,13,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378387
PNG
(CHEMBL575493)
Show SMILES CC1(C)NC(Nc2ccc(Br)cc2)=NC(N)=N1
Show InChI InChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(17-11)14-8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50378388
PNG
(CHEMBL575494)
Show SMILES Cc1ccccc1NC1=NC(N)=NC(C)(C)N1
Show InChI InChI=1S/C12H17N5/c1-8-6-4-5-7-9(8)14-11-15-10(13)16-12(2,3)17-11/h4-7H,1-3H3,(H4,13,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR assessed as NADPH consumption during conversion of dihydrofolic acid to tetrahydrofolic acid


Bioorg Med Chem Lett 19: 5644-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.052
BindingDB Entry DOI: 10.7270/Q2SN09WP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%