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PubMed code 12877583

Compile data set for download or QSAR
Found 13 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


(Rattus norvegicus (rat))
BDBM50092657
PNG
(2-[4-(2,4-Diamino-quinazolin-6-ylmethoxycarbonyl)-...)
Show SMILES Nc1nc(N)c2cc(COC(=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2n1
Show InChI InChI=1S/C22H21N5O7/c23-18-14-9-11(1-6-15(14)26-22(24)27-18)10-34-21(33)13-4-2-12(3-5-13)19(30)25-16(20(31)32)7-8-17(28)29/h1-6,9,16H,7-8,10H2,(H,25,30)(H,28,29)(H,31,32)(H4,23,24,26,27)/t16-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase (rlDHFR)


J Med Chem 46: 3455-62 (2003)


Article DOI: 10.1021/jm021062y
BindingDB Entry DOI: 10.7270/Q2SJ1MC1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50101643
PNG
(6-[(Methyl-phenyl-amino)-methyl]-quinazoline-2,4-d...)
Show SMILES CN(Cc1ccc2nc(N)nc(N)c2c1)c1ccccc1
Show InChI InChI=1S/C16H17N5/c1-21(12-5-3-2-4-6-12)10-11-7-8-14-13(9-11)15(17)20-16(18)19-14/h2-9H,10H2,1H3,(H4,17,18,19,20)
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n/an/a 69n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase (rlDHFR)


J Med Chem 46: 3455-62 (2003)


Article DOI: 10.1021/jm021062y
BindingDB Entry DOI: 10.7270/Q2SJ1MC1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50092656
PNG
(2-[4-(2,4-Diamino-pteridin-6-ylmethoxycarbonyl)-be...)
Show SMILES Nc1nc(N)c2nc(COC(=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C20H19N7O7/c21-15-14-16(27-20(22)26-15)23-7-11(24-14)8-34-19(33)10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,7,12H,5-6,8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,23,26,27)/t12-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase (rlDHFR)


J Med Chem 46: 3455-62 (2003)


Article DOI: 10.1021/jm021062y
BindingDB Entry DOI: 10.7270/Q2SJ1MC1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50131565
PNG
(2-[4-(2,4-Diamino-quinazolin-6-ylmethoxycarbonyl)-...)
Show SMILES Nc1nc(N)c2cc(COC(=O)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)ccc2n1
Show InChI InChI=1S/C22H21N5O7/c23-18-14-9-11(1-6-15(14)26-22(24)27-18)10-34-21(33)13-4-2-12(3-5-13)19(30)25-16(20(31)32)7-8-17(28)29/h1-6,9,16H,7-8,10H2,(H,25,30)(H,28,29)(H,31,32)(H4,23,24,26,27)/t16-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase (rlDHFR)


J Med Chem 46: 3455-62 (2003)


Article DOI: 10.1021/jm021062y
BindingDB Entry DOI: 10.7270/Q2SJ1MC1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50131564
PNG
(2-[4-(2,4-Diamino-quinazolin-6-ylmethoxycarbonyl)-...)
Show SMILES Nc1nc(N)c2cc(COC(=O)c3ccc(cc3)C(=O)N[C@@H](CCCC(O)=O)C(O)=O)ccc2n1
Show InChI InChI=1S/C23H23N5O7/c24-19-15-10-12(4-9-16(15)27-23(25)28-19)11-35-22(34)14-7-5-13(6-8-14)20(31)26-17(21(32)33)2-1-3-18(29)30/h4-10,17H,1-3,11H2,(H,26,31)(H,29,30)(H,32,33)(H4,24,25,27,28)/t17-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase (rlDHFR)


J Med Chem 46: 3455-62 (2003)


Article DOI: 10.1021/jm021062y
BindingDB Entry DOI: 10.7270/Q2SJ1MC1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50101641
PNG
(Benzoic acid 2,4-diamino-5-methyl-pyrido[2,3-d]pyr...)
Show SMILES Cc1c(COC(=O)c2ccccc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H15N5O2/c1-9-11(8-23-15(22)10-5-3-2-4-6-10)7-19-14-12(9)13(17)20-16(18)21-14/h2-7H,8H2,1H3,(H4,17,18,19,20,21)
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n/an/a 230n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase (rlDHFR)


J Med Chem 46: 3455-62 (2003)


Article DOI: 10.1021/jm021062y
BindingDB Entry DOI: 10.7270/Q2SJ1MC1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50101634
PNG
(Benzoic acid 2,4-diamino-quinazolin-6-ylmethyl est...)
Show SMILES Nc1nc(N)c2cc(COC(=O)c3ccccc3)ccc2n1
Show InChI InChI=1S/C16H14N4O2/c17-14-12-8-10(6-7-13(12)19-16(18)20-14)9-22-15(21)11-4-2-1-3-5-11/h1-8H,9H2,(H4,17,18,19,20)
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n/an/a 390n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase (rlDHFR)


J Med Chem 46: 3455-62 (2003)


Article DOI: 10.1021/jm021062y
BindingDB Entry DOI: 10.7270/Q2SJ1MC1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50101635
PNG
(2,4-Diamino-quinazoline-6-carboxylic acid benzyl e...)
Show SMILES Nc1nc(N)c2cc(ccc2n1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C16H14N4O2/c17-14-12-8-11(6-7-13(12)19-16(18)20-14)15(21)22-9-10-4-2-1-3-5-10/h1-8H,9H2,(H4,17,18,19,20)
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n/an/a 420n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase (rlDHFR)


J Med Chem 46: 3455-62 (2003)


Article DOI: 10.1021/jm021062y
BindingDB Entry DOI: 10.7270/Q2SJ1MC1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50101637
PNG
(6-Phenylaminomethyl-quinazoline-2,4-diamine | CHEM...)
Show SMILES Nc1nc(N)c2cc(CNc3ccccc3)ccc2n1
Show InChI InChI=1S/C15H15N5/c16-14-12-8-10(6-7-13(12)19-15(17)20-14)9-18-11-4-2-1-3-5-11/h1-8,18H,9H2,(H4,16,17,19,20)
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n/an/a 440n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase (rlDHFR)


J Med Chem 46: 3455-62 (2003)


Article DOI: 10.1021/jm021062y
BindingDB Entry DOI: 10.7270/Q2SJ1MC1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50101648
PNG
(CHEMBL77409 | Terephthalic acid mono-(2,4-diamino-...)
Show SMILES Nc1nc(N)c2cc(COC(=O)c3ccc(cc3)C(O)=O)ccc2n1
Show InChI InChI=1S/C17H14N4O4/c18-14-12-7-9(1-6-13(12)20-17(19)21-14)8-25-16(24)11-4-2-10(3-5-11)15(22)23/h1-7H,8H2,(H,22,23)(H4,18,19,20,21)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase (rlDHFR)


J Med Chem 46: 3455-62 (2003)


Article DOI: 10.1021/jm021062y
BindingDB Entry DOI: 10.7270/Q2SJ1MC1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50101642
PNG
(CHEMBL78631 | Phenyl-acetic acid 2,4-diamino-quina...)
Show SMILES Nc1nc(N)c2cc(COC(=O)Cc3ccccc3)ccc2n1
Show InChI InChI=1S/C17H16N4O2/c18-16-13-8-12(6-7-14(13)20-17(19)21-16)10-23-15(22)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H4,18,19,20,21)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase (rlDHFR)


J Med Chem 46: 3455-62 (2003)


Article DOI: 10.1021/jm021062y
BindingDB Entry DOI: 10.7270/Q2SJ1MC1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50101632
PNG
(Benzoic acid 2,4-diamino-pyrido[2,3-d]pyrimidin-6-...)
Show SMILES Nc1nc(N)c2cc(COC(=O)c3ccccc3)cnc2n1
Show InChI InChI=1S/C15H13N5O2/c16-12-11-6-9(7-18-13(11)20-15(17)19-12)8-22-14(21)10-4-2-1-3-5-10/h1-7H,8H2,(H4,16,17,18,19,20)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase (rlDHFR)


J Med Chem 46: 3455-62 (2003)


Article DOI: 10.1021/jm021062y
BindingDB Entry DOI: 10.7270/Q2SJ1MC1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50101640
PNG
(Benzoic acid 2,4-diamino-pteridin-6-ylmethyl ester...)
Show SMILES Nc1nc(N)c2nc(COC(=O)c3ccccc3)cnc2n1
Show InChI InChI=1S/C14H12N6O2/c15-11-10-12(20-14(16)19-11)17-6-9(18-10)7-22-13(21)8-4-2-1-3-5-8/h1-6H,7H2,(H4,15,16,17,19,20)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of rat liver Dihydrofolate reductase (rlDHFR)


J Med Chem 46: 3455-62 (2003)


Article DOI: 10.1021/jm021062y
BindingDB Entry DOI: 10.7270/Q2SJ1MC1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%