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Compile Data Set for Download or QSAR

Found 506 hits of ph data with Target = 'Dihydrofolate reductase'   
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)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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2.40E+3 -32.1n/an/an/an/an/a5.525



Pennsylvania State University

Curated by ChEMBL


Assay Description
Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7


J Med Chem 31: 129-37 (1988)


BindingDB Entry DOI: 10.7270/Q2MP53VF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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n/an/an/a 3.20n/an/an/a6.0n/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7


J Med Chem 31: 129-37 (1988)


BindingDB Entry DOI: 10.7270/Q2MP53VF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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n/an/an/a 2.30n/an/an/a6.0n/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7


J Med Chem 31: 129-37 (1988)


BindingDB Entry DOI: 10.7270/Q2MP53VF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50022831
PNG
(6,7-Dimethyl-pteridine-2,4-diamine | CHEMBL29143)
Show SMILES Cc1nc2nc(N)nc(N)c2nc1C
Show InChI InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)
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n/an/an/a 1.60E+3n/an/an/a6.0n/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 8


J Med Chem 31: 129-37 (1988)


BindingDB Entry DOI: 10.7270/Q2MP53VF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50022831
PNG
(6,7-Dimethyl-pteridine-2,4-diamine | CHEMBL29143)
Show SMILES Cc1nc2nc(N)nc(N)c2nc1C
Show InChI InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)
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n/an/an/a 3.90E+3n/an/an/a6.0n/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 6


J Med Chem 31: 129-37 (1988)


BindingDB Entry DOI: 10.7270/Q2MP53VF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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n/an/an/a 0.0230n/an/an/a6.0n/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 6


J Med Chem 31: 129-37 (1988)


BindingDB Entry DOI: 10.7270/Q2MP53VF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM18043
PNG
(1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QU...)
Show SMILES CCC(CC)n1ccc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)
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Article
PubMed
n/an/a 4n/an/an/an/a6.430



GSK



Assay Description
IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...


J Med Chem 44: 2928-32 (2001)


Article DOI: 10.1021/jm0101444
BindingDB Entry DOI: 10.7270/Q2XW4H2K
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM18045
PNG
(5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE | 5-(phe...)
Show SMILES Nc1nc(N)c2c(Sc3ccccc3)cccc2n1
Show InChI InChI=1S/C14H12N4S/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18)
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n/an/a 34n/an/an/an/a6.430



GSK



Assay Description
IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...


J Med Chem 44: 2928-32 (2001)


Article DOI: 10.1021/jm0101444
BindingDB Entry DOI: 10.7270/Q2XW4H2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Candida albicans)
BDBM18046
PNG
(5-((4-methylphenyl)thio)-quinazoline 2,4-diamine, ...)
Show SMILES Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
Show InChI InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)
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n/an/a 23n/an/an/an/a6.430



GSK



Assay Description
IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...


J Med Chem 44: 2928-32 (2001)


Article DOI: 10.1021/jm0101444
BindingDB Entry DOI: 10.7270/Q2XW4H2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Candida albicans)
BDBM18047
PNG
(5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDI...)
Show SMILES CC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
Show InChI InChI=1S/C18H20N4S/c1-18(2,3)11-7-9-12(10-8-11)23-14-6-4-5-13-15(14)16(19)22-17(20)21-13/h4-10H,1-3H3,(H4,19,20,21,22)
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n/an/a 8n/an/an/an/a6.430



GSK



Assay Description
IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...


J Med Chem 44: 2928-32 (2001)


Article DOI: 10.1021/jm0101444
BindingDB Entry DOI: 10.7270/Q2XW4H2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Candida albicans)
BDBM18048
PNG
(5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOL...)
Show SMILES Nc1nc(N)c2c(Sc3ccc(cc3)N3CCOCC3)cccc2n1
Show InChI InChI=1S/C18H19N5OS/c19-17-16-14(21-18(20)22-17)2-1-3-15(16)25-13-6-4-12(5-7-13)23-8-10-24-11-9-23/h1-7H,8-11H2,(H4,19,20,21,22)
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n/an/a 130n/an/an/an/a6.430



GSK



Assay Description
IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...


J Med Chem 44: 2928-32 (2001)


Article DOI: 10.1021/jm0101444
BindingDB Entry DOI: 10.7270/Q2XW4H2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038269
PNG
(2-Amino-8-isobutyl-5-methyl-2,8-dihydro-3H-pyrido[...)
Show SMILES CC(C)CN1C=CC(C)=C2C(=O)NC(N)N=C12 |c:5,t:8,15|
Show InChI InChI=1S/C12H18N4O/c1-7(2)6-16-5-4-8(3)9-10(16)14-12(13)15-11(9)17/h4-5,7,12H,6,13H2,1-3H3,(H,15,17)
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n/an/an/a 2.40E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038267
PNG
(2-Amino-6,8-dimethyl-2,8-dihydro-3H-pyrido[2,3-d]p...)
Show SMILES CN1C=C(C)C=C2C(=O)NC(N)N=C12 |t:2,5,12|
Show InChI InChI=1S/C9H12N4O/c1-5-3-6-7(13(2)4-5)11-9(10)12-8(6)14/h3-4,9H,10H2,1-2H3,(H,12,14)
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n/an/an/a 1.10E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038268
PNG
(2-Amino-8-benzyl-2,8-dihydro-3H-pyrido[2,3-d]pyrim...)
Show SMILES NC1NC(=O)C2=CC=CN(Cc3ccccc3)C2=N1 |c:7,19,t:5|
Show InChI InChI=1S/C14H14N4O/c15-14-16-12-11(13(19)17-14)7-4-8-18(12)9-10-5-2-1-3-6-10/h1-8,14H,9,15H2,(H,17,19)
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n/an/an/a 3.70E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038273
PNG
(2-Amino-7,8-dimethyl-2,8-dihydro-3H-pyrido[2,3-d]p...)
Show SMILES CN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:3,t:5,12|
Show InChI InChI=1S/C9H12N4O/c1-5-3-4-6-7(13(5)2)11-9(10)12-8(6)14/h3-4,9H,10H2,1-2H3,(H,12,14)
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n/an/an/a 2.10E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038274
PNG
(2-Amino-6-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...)
Show SMILES CCCN1C=C(C)C=C2C(=O)NC(N)N=C12 |t:4,7,14|
Show InChI InChI=1S/C11H16N4O/c1-3-4-15-6-7(2)5-8-9(15)13-11(12)14-10(8)16/h5-6,11H,3-4,12H2,1-2H3,(H,14,16)
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n/an/an/a 1.08E+5n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038261
PNG
(2-Amino-5-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...)
Show SMILES CCCN1C=CC(C)=C2C(=O)NC(N)N=C12 |c:4,t:7,14|
Show InChI InChI=1S/C11H16N4O/c1-3-5-15-6-4-7(2)8-9(15)13-11(12)14-10(8)16/h4,6,11H,3,5,12H2,1-2H3,(H,14,16)
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n/an/an/a 1.20E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038271
PNG
(2-Amino-8-ethyl-6-methyl-2,8-dihydro-3H-pyrido[2,3...)
Show SMILES CCN1C=C(C)C=C2C(=O)NC(N)N=C12 |t:3,6,13|
Show InChI InChI=1S/C10H14N4O/c1-3-14-5-6(2)4-7-8(14)12-10(11)13-9(7)15/h4-5,10H,3,11H2,1-2H3,(H,13,15)
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n/an/an/a 7.40E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038265
PNG
(2-Amino-8-ethyl-2,8-dihydro-3H-pyrido[2,3-d]pyrimi...)
Show SMILES CCN1C=CC=C2C(=O)NC(N)N=C12 |c:3,t:5,12|
Show InChI InChI=1S/C9H12N4O/c1-2-13-5-3-4-6-7(13)11-9(10)12-8(6)14/h3-5,9H,2,10H2,1H3,(H,12,14)
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n/an/an/a 1.30E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038262
PNG
(2-Amino-5,8-dimethyl-2,8-dihydro-3H-pyrido[2,3-d]p...)
Show SMILES CN1C=CC(C)=C2C(=O)NC(N)N=C12 |c:2,t:5,12|
Show InChI InChI=1S/C9H12N4O/c1-5-3-4-13(2)7-6(5)8(14)12-9(10)11-7/h3-4,9H,10H2,1-2H3,(H,12,14)
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n/an/an/a 5.10E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038275
PNG
(2-Amino-8-methyl-2,8-dihydro-3H-pyrido[2,3-d]pyrim...)
Show SMILES CN1C=CC=C2C(=O)NC(N)N=C12 |c:2,t:4,11|
Show InChI InChI=1S/C8H10N4O/c1-12-4-2-3-5-6(12)10-8(9)11-7(5)13/h2-4,8H,9H2,1H3,(H,11,13)
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n/an/an/a 2.10E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038263
PNG
(2-Amino-8-propyl-2,8-dihydro-3H-pyrido[2,3-d]pyrim...)
Show SMILES CCCN1C=CC=C2C(=O)NC(N)N=C12 |c:4,t:6,13|
Show InChI InChI=1S/C10H14N4O/c1-2-5-14-6-3-4-7-8(14)12-10(11)13-9(7)15/h3-4,6,10H,2,5,11H2,1H3,(H,13,15)
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n/an/an/a 4.00E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038263
PNG
(2-Amino-8-propyl-2,8-dihydro-3H-pyrido[2,3-d]pyrim...)
Show SMILES CCCN1C=CC=C2C(=O)NC(N)N=C12 |c:4,t:6,13|
Show InChI InChI=1S/C10H14N4O/c1-2-5-14-6-3-4-7-8(14)12-10(11)13-9(7)15/h3-4,6,10H,2,5,11H2,1H3,(H,13,15)
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n/an/an/a 1.10E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038268
PNG
(2-Amino-8-benzyl-2,8-dihydro-3H-pyrido[2,3-d]pyrim...)
Show SMILES NC1NC(=O)C2=CC=CN(Cc3ccccc3)C2=N1 |c:7,19,t:5|
Show InChI InChI=1S/C14H14N4O/c15-14-16-12-11(13(19)17-14)7-4-8-18(12)9-10-5-2-1-3-6-10/h1-8,14H,9,15H2,(H,17,19)
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n/an/an/a 700n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038269
PNG
(2-Amino-8-isobutyl-5-methyl-2,8-dihydro-3H-pyrido[...)
Show SMILES CC(C)CN1C=CC(C)=C2C(=O)NC(N)N=C12 |c:5,t:8,15|
Show InChI InChI=1S/C12H18N4O/c1-7(2)6-16-5-4-8(3)9-10(16)14-12(13)15-11(9)17/h4-5,7,12H,6,13H2,1-3H3,(H,15,17)
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n/an/an/a 3.50E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038272
PNG
(2-Amino-5-methyl-8-(3-methyl-butyl)-2,8-dihydro-3H...)
Show SMILES CC(C)CCN1C=CC(C)=C2C(=O)NC(N)N=C12 |c:6,t:9,16|
Show InChI InChI=1S/C13H20N4O/c1-8(2)4-6-17-7-5-9(3)10-11(17)15-13(14)16-12(10)18/h5,7-8,13H,4,6,14H2,1-3H3,(H,16,18)
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n/an/an/a 3.30E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038266
PNG
(2-Amino-8-isopropyl-2,8-dihydro-3H-pyrido[2,3-d]py...)
Show SMILES CC(C)N1C=CC=C2C(=O)NC(N)N=C12 |c:4,t:6,13|
Show InChI InChI=1S/C10H14N4O/c1-6(2)14-5-3-4-7-8(14)12-10(11)13-9(7)15/h3-6,10H,11H2,1-2H3,(H,13,15)
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n/an/an/a 1.90E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038269
PNG
(2-Amino-8-isobutyl-5-methyl-2,8-dihydro-3H-pyrido[...)
Show SMILES CC(C)CN1C=CC(C)=C2C(=O)NC(N)N=C12 |c:5,t:8,15|
Show InChI InChI=1S/C12H18N4O/c1-7(2)6-16-5-4-8(3)9-10(16)14-12(13)15-11(9)17/h4-5,7,12H,6,13H2,1-3H3,(H,15,17)
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n/an/an/a 1.60E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038274
PNG
(2-Amino-6-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...)
Show SMILES CCCN1C=C(C)C=C2C(=O)NC(N)N=C12 |t:4,7,14|
Show InChI InChI=1S/C11H16N4O/c1-3-4-15-6-7(2)5-8-9(15)13-11(12)14-10(8)16/h5-6,11H,3-4,12H2,1-2H3,(H,14,16)
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n/an/an/a 2.50E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038273
PNG
(2-Amino-7,8-dimethyl-2,8-dihydro-3H-pyrido[2,3-d]p...)
Show SMILES CN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:3,t:5,12|
Show InChI InChI=1S/C9H12N4O/c1-5-3-4-6-7(13(5)2)11-9(10)12-8(6)14/h3-4,9H,10H2,1-2H3,(H,12,14)
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n/an/an/a 1.10E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038270
PNG
(2-Amino-8-isobutyl-2,8-dihydro-3H-pyrido[2,3-d]pyr...)
Show SMILES CC(C)CN1C=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14|
Show InChI InChI=1S/C11H16N4O/c1-7(2)6-15-5-3-4-8-9(15)13-11(12)14-10(8)16/h3-5,7,11H,6,12H2,1-2H3,(H,14,16)
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n/an/an/a 2.20E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038272
PNG
(2-Amino-5-methyl-8-(3-methyl-butyl)-2,8-dihydro-3H...)
Show SMILES CC(C)CCN1C=CC(C)=C2C(=O)NC(N)N=C12 |c:6,t:9,16|
Show InChI InChI=1S/C13H20N4O/c1-8(2)4-6-17-7-5-9(3)10-11(17)15-13(14)16-12(10)18/h5,7-8,13H,4,6,14H2,1-3H3,(H,16,18)
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n/an/an/a 4.50E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038270
PNG
(2-Amino-8-isobutyl-2,8-dihydro-3H-pyrido[2,3-d]pyr...)
Show SMILES CC(C)CN1C=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14|
Show InChI InChI=1S/C11H16N4O/c1-7(2)6-15-5-3-4-8-9(15)13-11(12)14-10(8)16/h3-5,7,11H,6,12H2,1-2H3,(H,14,16)
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n/an/an/a 600n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038271
PNG
(2-Amino-8-ethyl-6-methyl-2,8-dihydro-3H-pyrido[2,3...)
Show SMILES CCN1C=C(C)C=C2C(=O)NC(N)N=C12 |t:3,6,13|
Show InChI InChI=1S/C10H14N4O/c1-3-14-5-6(2)4-7-8(14)12-10(11)13-9(7)15/h4-5,10H,3,11H2,1-2H3,(H,13,15)
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n/an/an/a 1.60E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038266
PNG
(2-Amino-8-isopropyl-2,8-dihydro-3H-pyrido[2,3-d]py...)
Show SMILES CC(C)N1C=CC=C2C(=O)NC(N)N=C12 |c:4,t:6,13|
Show InChI InChI=1S/C10H14N4O/c1-6(2)14-5-3-4-7-8(14)12-10(11)13-9(7)15/h3-6,10H,11H2,1-2H3,(H,13,15)
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n/an/an/a 3.40E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038264
PNG
(2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...)
Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14|
Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)
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n/an/an/a 3.40E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038267
PNG
(2-Amino-6,8-dimethyl-2,8-dihydro-3H-pyrido[2,3-d]p...)
Show SMILES CN1C=C(C)C=C2C(=O)NC(N)N=C12 |t:2,5,12|
Show InChI InChI=1S/C9H12N4O/c1-5-3-6-7(13(2)4-5)11-9(10)12-8(6)14/h3-4,9H,10H2,1-2H3,(H,12,14)
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n/an/an/a 1.60E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038260
PNG
(2-Amino-8-isopropyl-6-methyl-2,8-dihydro-3H-pyrido...)
Show SMILES CC(C)N1C=C(C)C=C2C(=O)NC(N)N=C12 |t:4,7,14|
Show InChI InChI=1S/C11H16N4O/c1-6(2)15-5-7(3)4-8-9(15)13-11(12)14-10(8)16/h4-6,11H,12H2,1-3H3,(H,14,16)
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n/an/an/a 4.40E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038264
PNG
(2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...)
Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14|
Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)
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n/an/an/a 3.40E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038265
PNG
(2-Amino-8-ethyl-2,8-dihydro-3H-pyrido[2,3-d]pyrimi...)
Show SMILES CCN1C=CC=C2C(=O)NC(N)N=C12 |c:3,t:5,12|
Show InChI InChI=1S/C9H12N4O/c1-2-13-5-3-4-6-7(13)11-9(10)12-8(6)14/h3-5,9H,2,10H2,1H3,(H,12,14)
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n/an/an/a 6.00E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038270
PNG
(2-Amino-8-isobutyl-2,8-dihydro-3H-pyrido[2,3-d]pyr...)
Show SMILES CC(C)CN1C=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14|
Show InChI InChI=1S/C11H16N4O/c1-7(2)6-15-5-3-4-8-9(15)13-11(12)14-10(8)16/h3-5,7,11H,6,12H2,1-2H3,(H,14,16)
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n/an/an/a 2.50E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038260
PNG
(2-Amino-8-isopropyl-6-methyl-2,8-dihydro-3H-pyrido...)
Show SMILES CC(C)N1C=C(C)C=C2C(=O)NC(N)N=C12 |t:4,7,14|
Show InChI InChI=1S/C11H16N4O/c1-6(2)15-5-7(3)4-8-9(15)13-11(12)14-10(8)16/h4-6,11H,12H2,1-3H3,(H,14,16)
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n/an/an/a 2.30E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038264
PNG
(2-Amino-7-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...)
Show SMILES CCCN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:5,t:7,14|
Show InChI InChI=1S/C11H16N4O/c1-3-6-15-7(2)4-5-8-9(15)13-11(12)14-10(8)16/h4-5,11H,3,6,12H2,1-2H3,(H,14,16)
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n/an/an/a 5.90E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the presence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038265
PNG
(2-Amino-8-ethyl-2,8-dihydro-3H-pyrido[2,3-d]pyrimi...)
Show SMILES CCN1C=CC=C2C(=O)NC(N)N=C12 |c:3,t:5,12|
Show InChI InChI=1S/C9H12N4O/c1-2-13-5-3-4-6-7(13)11-9(10)12-8(6)14/h3-5,9H,2,10H2,1H3,(H,12,14)
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n/an/an/a 3.80E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038263
PNG
(2-Amino-8-propyl-2,8-dihydro-3H-pyrido[2,3-d]pyrim...)
Show SMILES CCCN1C=CC=C2C(=O)NC(N)N=C12 |c:4,t:6,13|
Show InChI InChI=1S/C10H14N4O/c1-2-5-14-6-3-4-7-8(14)12-10(11)13-9(7)15/h3-4,6,10H,2,5,11H2,1H3,(H,13,15)
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n/an/an/a 1.80E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038262
PNG
(2-Amino-5,8-dimethyl-2,8-dihydro-3H-pyrido[2,3-d]p...)
Show SMILES CN1C=CC(C)=C2C(=O)NC(N)N=C12 |c:2,t:5,12|
Show InChI InChI=1S/C9H12N4O/c1-5-3-4-13(2)7-6(5)8(14)12-9(10)11-7/h3-4,9H,10H2,1-2H3,(H,12,14)
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n/an/an/a 2.00E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038261
PNG
(2-Amino-5-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...)
Show SMILES CCCN1C=CC(C)=C2C(=O)NC(N)N=C12 |c:4,t:7,14|
Show InChI InChI=1S/C11H16N4O/c1-3-5-15-6-4-7(2)8-9(15)13-11(12)14-10(8)16/h4,6,11H,3,5,12H2,1-2H3,(H,14,16)
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n/an/an/a 7.10E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038268
PNG
(2-Amino-8-benzyl-2,8-dihydro-3H-pyrido[2,3-d]pyrim...)
Show SMILES NC1NC(=O)C2=CC=CN(Cc3ccccc3)C2=N1 |c:7,19,t:5|
Show InChI InChI=1S/C14H14N4O/c15-14-16-12-11(13(19)17-14)7-4-8-18(12)9-10-5-2-1-3-6-10/h1-8,14H,9,15H2,(H,17,19)
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n/an/an/a 1.70E+3n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038273
PNG
(2-Amino-7,8-dimethyl-2,8-dihydro-3H-pyrido[2,3-d]p...)
Show SMILES CN1C(C)=CC=C2C(=O)NC(N)N=C12 |c:3,t:5,12|
Show InChI InChI=1S/C9H12N4O/c1-5-3-4-6-7(13(5)2)11-9(10)12-8(6)14/h3-4,9H,10H2,1-2H3,(H,12,14)
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n/an/an/a 1.10E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50038263
PNG
(2-Amino-8-propyl-2,8-dihydro-3H-pyrido[2,3-d]pyrim...)
Show SMILES CCCN1C=CC=C2C(=O)NC(N)N=C12 |c:4,t:6,13|
Show InChI InChI=1S/C10H14N4O/c1-2-5-14-6-3-4-7-8(14)12-10(11)13-9(7)15/h3-4,6,10H,2,5,11H2,1H3,(H,13,15)
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n/an/an/a 1.20E+4n/an/an/a6.6n/a



University of Sydney

Curated by ChEMBL


Assay Description
Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in the absence of cofactor NADPH


J Med Chem 37: 4211-21 (1995)


BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
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