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Compile Data Set for Download or QSAR

Found 337 hits with Last Name = 'gaumont' and Initial = 'y'   
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


(Mus musculus (Mouse))
BDBM50010932
PNG
((10-DA, 10-Deazaminopterin)2-{4-[2-(2,4-Diamino-pt...)
Show SMILES Nc1nc(N)c2nc(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C20H21N7O5/c21-16-15-17(27-20(22)26-16)23-9-12(24-15)6-3-10-1-4-11(5-2-10)18(30)25-13(19(31)32)7-8-14(28)29/h1-2,4-5,9,13H,3,6-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,23,26,27)
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0.00210n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of dihydrofolate reductase enzyme


J Med Chem 25: 1227-30 (1983)


BindingDB Entry DOI: 10.7270/Q2WW7J72
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50367055
PNG
(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 |r|
Show InChI InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
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0.00230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of dihydrofolate reductase enzyme from mouse


J Med Chem 25: 1227-30 (1983)


BindingDB Entry DOI: 10.7270/Q2WW7J72
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50025009
PNG
(2-{4-[2-(2,4-Diamino-pteridin-6-yl)-1-methyl-ethyl...)
Show SMILES CC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H23N7O5/c1-10(8-13-9-24-18-16(25-13)17(22)27-21(23)28-18)11-2-4-12(5-3-11)19(31)26-14(20(32)33)6-7-15(29)30/h2-5,9-10,14H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)
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0.00240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of dihydrofolate reductase enzyme


J Med Chem 25: 1227-30 (1983)


BindingDB Entry DOI: 10.7270/Q2WW7J72
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50028641
PNG
(2-{4-[2-(2,4-Diamino-pteridin-6-yl)-1,1-dimethyl-e...)
Show SMILES CC(C)(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25N7O5/c1-22(2,9-13-10-25-18-16(26-13)17(23)28-21(24)29-18)12-5-3-11(4-6-12)19(32)27-14(20(33)34)7-8-15(30)31/h3-6,10,14H,7-9H2,1-2H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)
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0.00260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of dihydrofolate reductase enzyme


J Med Chem 25: 1227-30 (1983)


BindingDB Entry DOI: 10.7270/Q2WW7J72
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50004544
PNG
(2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...)
Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)
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0.00280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of dihydrofolate reductase enzyme


J Med Chem 25: 1227-30 (1983)


BindingDB Entry DOI: 10.7270/Q2WW7J72
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50016460
PNG
((S)-2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-prop...)
Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11?,15-/m0/s1
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0.00280n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting dihydrofolate reductase derived from L1210 cells


J Med Chem 33: 212-5 (1990)


BindingDB Entry DOI: 10.7270/Q2FX78FR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50028605
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-propyl-ami...)
Show SMILES CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N8O5/c1-2-9-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-5-3-12(4-6-14)20(33)27-15(21(34)35)7-8-16(31)32/h3-6,10,15H,2,7-9,11H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
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0.00300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against L1210 dihydrofolate reductase in rodent neoplastic cells


J Med Chem 25: 877-80 (1982)


BindingDB Entry DOI: 10.7270/Q23F4Q6X
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
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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0.00320n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of dihydrofolate reductase enzyme


J Med Chem 25: 1227-30 (1983)


BindingDB Entry DOI: 10.7270/Q2WW7J72
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50010932
PNG
((10-DA, 10-Deazaminopterin)2-{4-[2-(2,4-Diamino-pt...)
Show SMILES Nc1nc(N)c2nc(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C20H21N7O5/c21-16-15-17(27-20(22)26-16)23-9-12(24-15)6-3-10-1-4-11(5-2-10)18(30)25-13(19(31)32)7-8-14(28)29/h1-2,4-5,9,13H,3,6-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,23,26,27)
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0.00340n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting dihydrofolate reductase derived from L1210 cells


J Med Chem 33: 212-5 (1990)


BindingDB Entry DOI: 10.7270/Q2FX78FR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50367055
PNG
(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 |r|
Show InChI InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
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0.00400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against L1210 dihydrofolate reductase in rodent neoplastic cells


J Med Chem 25: 877-80 (1982)


BindingDB Entry DOI: 10.7270/Q23F4Q6X
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50014707
PNG
(2-{4-[2-(2,4-Diamino-pteridin-6-yl)-propyl]-benzoy...)
Show SMILES CC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C21H23N7O5/c1-10(14-9-24-18-16(25-14)17(22)27-21(23)28-18)8-11-2-4-12(5-3-11)19(31)26-13(20(32)33)6-7-15(29)30/h2-5,9-10,13H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)
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0.00520n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting dihydrofolate reductase derived from L1210 cells


J Med Chem 33: 212-5 (1990)


BindingDB Entry DOI: 10.7270/Q2FX78FR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50014706
PNG
(2-{4-[2-(2,4-Diamino-pteridin-6-yl)-butyl]-benzoyl...)
Show SMILES CCC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C22H25N7O5/c1-2-12(15-10-25-19-17(26-15)18(23)28-22(24)29-19)9-11-3-5-13(6-4-11)20(32)27-14(21(33)34)7-8-16(30)31/h3-6,10,12,14H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)
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0.00550n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration of the compound inhibiting Dihydrofolate reductase derived from L1210 cells


J Med Chem 33: 212-5 (1990)


BindingDB Entry DOI: 10.7270/Q2FX78FR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
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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0.00560n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligand


J Med Chem 33: 212-5 (1990)


BindingDB Entry DOI: 10.7270/Q2FX78FR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
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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0.00600n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.


J Med Chem 33: 673-7 (1990)


BindingDB Entry DOI: 10.7270/Q2T43S3F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
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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0.00600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against L1210 dihydrofolate reductase in rodent neoplastic cells


J Med Chem 25: 877-80 (1982)


BindingDB Entry DOI: 10.7270/Q23F4Q6X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50008287
PNG
(2-{4-[2-(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-yl)-...)
Show SMILES CC(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H24N6O5/c1-11(8-12-9-15-18(23)27-22(24)28-19(15)25-10-12)13-2-4-14(5-3-13)20(31)26-16(21(32)33)6-7-17(29)30/h2-5,9-11,16H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,23,24,25,27,28)
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0.00700n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.


J Med Chem 33: 673-7 (1990)


BindingDB Entry DOI: 10.7270/Q2T43S3F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50008285
PNG
(2-{4-[1-(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylme...)
Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C23H26N6O5/c1-2-13(9-12-10-16-19(24)28-23(25)29-20(16)26-11-12)14-3-5-15(6-4-14)21(32)27-17(22(33)34)7-8-18(30)31/h3-6,10-11,13,17H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,24,25,26,28,29)
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0.0130n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.


J Med Chem 33: 673-7 (1990)


BindingDB Entry DOI: 10.7270/Q2T43S3F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50028603
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-prop-2-yny...)
Show SMILES Nc1nc(N)c2nc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C22H22N8O5/c1-2-9-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-5-3-12(4-6-14)20(33)27-15(21(34)35)7-8-16(31)32/h1,3-6,10,15H,7-9,11H2,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against L1210 dihydrofolate reductase in rodent neoplastic cells


J Med Chem 25: 877-80 (1982)


BindingDB Entry DOI: 10.7270/Q23F4Q6X
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50016323
PNG
(2-{4-[(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25N7O5/c1-11-13(9-25-19-17(11)18(23)27-22(24)28-19)10-29(2)14-5-3-12(4-6-14)20(32)26-15(21(33)34)7-8-16(30)31/h3-6,9,15H,7-8,10H2,1-2H3,(H,26,32)(H,30,31)(H,33,34)(H4,23,24,25,27,28)
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect on dihydrofolate reductase (DHFR) from L1210 cells at Inhibitory constant (n=3)


J Med Chem 29: 1080-7 (1986)


BindingDB Entry DOI: 10.7270/Q2416XMQ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50016324
PNG
(2-{4-[(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin...)
Show SMILES CCN(Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C23H27N7O5/c1-3-30(11-14-10-26-20-18(12(14)2)19(24)28-23(25)29-20)15-6-4-13(5-7-15)21(33)27-16(22(34)35)8-9-17(31)32/h4-7,10,16H,3,8-9,11H2,1-2H3,(H,27,33)(H,31,32)(H,34,35)(H4,24,25,26,28,29)
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect on dihydrofolate reductase (DHFR) from L1210 cells at Inhibitory constant (n=3)


J Med Chem 29: 1080-7 (1986)


BindingDB Entry DOI: 10.7270/Q2416XMQ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50016326
PNG
(2-{4-[(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin...)
Show SMILES Cc1c(CNc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C21H23N7O5/c1-10-12(9-25-18-16(10)17(22)27-21(23)28-18)8-24-13-4-2-11(3-5-13)19(31)26-14(20(32)33)6-7-15(29)30/h2-5,9,14,24H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,25,27,28)
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect on dihydrofolate reductase (DHFR) from L1210 cells at Inhibitory constant (n=3)


J Med Chem 29: 1080-7 (1986)


BindingDB Entry DOI: 10.7270/Q2416XMQ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50405400
PNG
(CHEMBL2051987)
Show SMILES C[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H23N7O5/c1-10(8-13-9-24-18-16(25-13)17(22)27-21(23)28-18)11-2-4-12(5-3-11)19(31)26-14(20(32)33)6-7-15(29)30/h2-5,9-10,14H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)/t10-,14+/m1/s1
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3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 29: 1056-61 (1986)


BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50367055
PNG
(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 |r|
Show InChI InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect on dihydrofolate reductase (DHFR) from L1210 cells at Inhibitory constant (n=3)


J Med Chem 29: 1080-7 (1986)


BindingDB Entry DOI: 10.7270/Q2416XMQ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50016325
PNG
(2-{4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmeth...)
Show SMILES Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C20H21N7O5/c21-16-13-7-10(9-24-17(13)27-20(22)26-16)8-23-12-3-1-11(2-4-12)18(30)25-14(19(31)32)5-6-15(28)29/h1-4,7,9,14,23H,5-6,8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,24,26,27)
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3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect on dihydrofolate reductase (DHFR) from L1210 cells at Inhibitory constant (n=3)


J Med Chem 29: 1080-7 (1986)


BindingDB Entry DOI: 10.7270/Q2416XMQ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50226274
PNG
(CHEMBL3349020)
Show SMILES CC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
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3.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 29: 1056-61 (1986)


BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50405400
PNG
(CHEMBL2051987)
Show SMILES C[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H23N7O5/c1-10(8-13-9-24-18-16(25-13)17(22)27-21(23)28-18)11-2-4-12(5-3-11)19(31)26-14(20(32)33)6-7-15(29)30/h2-5,9-10,14H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)/t10-,14+/m1/s1
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4.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells


J Med Chem 29: 1056-61 (1986)


BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
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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4.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells


J Med Chem 29: 1056-61 (1986)


BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50016322
PNG
(2-{4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmeth...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H23N7O5/c1-28(10-11-8-14-17(22)26-21(23)27-18(14)24-9-11)13-4-2-12(3-5-13)19(31)25-15(20(32)33)6-7-16(29)30/h2-5,8-9,15H,6-7,10H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,22,23,24,26,27)
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5.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect on dihydrofolate reductase (DHFR) from L1210 cells at Inhibitory constant (n=3)


J Med Chem 29: 1080-7 (1986)


BindingDB Entry DOI: 10.7270/Q2416XMQ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
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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5.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect on dihydrofolate reductase (DHFR) from L1210 cells at Inhibitory constant (n=3)


J Med Chem 29: 1080-7 (1986)


BindingDB Entry DOI: 10.7270/Q2416XMQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
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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5.5n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of dihydrofolate reductase (DHFR) isolated from L1210 cells


J Med Chem 31: 2164-9 (1988)


BindingDB Entry DOI: 10.7270/Q25H7F8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50405401
PNG
(CHEMBL2051990)
Show SMILES CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15-/m0/s1
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells


J Med Chem 29: 1056-61 (1986)


BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50028604
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-octyl-amin...)
Show SMILES CCCCCCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C27H36N8O5/c1-2-3-4-5-6-7-14-35(16-18-15-30-24-22(31-18)23(28)33-27(29)34-24)19-10-8-17(9-11-19)25(38)32-20(26(39)40)12-13-21(36)37/h8-11,15,20H,2-7,12-14,16H2,1H3,(H,32,38)(H,36,37)(H,39,40)(H4,28,29,30,33,34)
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against L1210 dihydrofolate reductase in rodent neoplastic cells


J Med Chem 25: 877-80 (1982)


BindingDB Entry DOI: 10.7270/Q23F4Q6X
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50022738
PNG
(2-{4-[2-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimid...)
Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C22H24N6O5/c1-11-14(10-25-19-17(11)18(23)27-22(24)28-19)7-4-12-2-5-13(6-3-12)20(31)26-15(21(32)33)8-9-16(29)30/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,23,24,25,27,28)
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28n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of dihydrofolate reductase (DHFR) isolated from L1210 cells


J Med Chem 31: 2164-9 (1988)


BindingDB Entry DOI: 10.7270/Q25H7F8Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50016460
PNG
((S)-2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-prop...)
Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11?,15-/m0/s1
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990n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligand


J Med Chem 33: 212-5 (1990)


BindingDB Entry DOI: 10.7270/Q2FX78FR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50022741
PNG
((5RS, 6RS) 2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4,5,6...)
Show SMILES CC1C(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C22H27N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,11,14-15H,4,7-10H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of dihydrofolate reductase (DHFR) isolated from L1210 cells


J Med Chem 31: 2164-9 (1988)


BindingDB Entry DOI: 10.7270/Q25H7F8Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50022740
PNG
(2-{4-[2-(2-Amino-5-methyl-4-oxo-3,4-dihydro-pyrido...)
Show SMILES Cc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C22H23N5O6/c1-11-14(10-24-18-17(11)20(31)27-22(23)26-18)7-4-12-2-5-13(6-3-12)19(30)25-15(21(32)33)8-9-16(28)29/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,23,24,26,27,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of dihydrofolate reductase (DHFR) isolated from L1210 cells


J Med Chem 31: 2164-9 (1988)


BindingDB Entry DOI: 10.7270/Q25H7F8Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50014935
PNG
(2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...)
Show SMILES CC(CC1CNc2nc(N)[nH]c(=O)c2C1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H27N5O6/c1-11(8-12-9-15-18(24-10-12)26-22(23)27-20(15)31)13-2-4-14(5-3-13)19(30)25-16(21(32)33)6-7-17(28)29/h2-5,11-12,16H,6-10H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.


J Med Chem 33: 673-7 (1990)


BindingDB Entry DOI: 10.7270/Q2T43S3F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50022739
PNG
((6RS) 2-{4-[2-(2-Amino-5-ethyl-4-oxo-3,4,5,6,7,8-h...)
Show SMILES CCC1C(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12
Show InChI InChI=1S/C23H29N5O6/c1-2-15-14(11-25-19-18(15)21(32)28-23(24)27-19)8-5-12-3-6-13(7-4-12)20(31)26-16(22(33)34)9-10-17(29)30/h3-4,6-7,14-16H,2,5,8-11H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)
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Southern Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibition of dihydrofolate reductase (DHFR) isolated from L1210 cells


J Med Chem 31: 2164-9 (1988)


BindingDB Entry DOI: 10.7270/Q25H7F8Z
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50014936
PNG
(2-{4-[1-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyri...)
Show SMILES CCC(CC1CNc2nc(N)[nH]c(=O)c2C1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C23H29N5O6/c1-2-13(9-12-10-16-19(25-11-12)27-23(24)28-21(16)32)14-3-5-15(6-4-14)20(31)26-17(22(33)34)7-8-18(29)30/h3-6,12-13,17H,2,7-11H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)
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SRI International

Curated by ChEMBL


Assay Description
Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.


J Med Chem 33: 673-7 (1990)


BindingDB Entry DOI: 10.7270/Q2T43S3F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50024475
PNG
(2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-quinazo...)
Show SMILES Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C21H25N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h2-5,11,16,23H,1,6-10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)
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SRI International

Curated by ChEMBL


Assay Description
Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.


J Med Chem 33: 673-7 (1990)


BindingDB Entry DOI: 10.7270/Q2T43S3F
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50010932
PNG
((10-DA, 10-Deazaminopterin)2-{4-[2-(2,4-Diamino-pt...)
Show SMILES Nc1nc(N)c2nc(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C20H21N7O5/c21-16-15-17(27-20(22)26-16)23-9-12(24-15)6-3-10-1-4-11(5-2-10)18(30)25-13(19(31)32)7-8-14(28)29/h1-2,4-5,9,13H,3,6-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,23,26,27)
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SRI International

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligand


J Med Chem 33: 212-5 (1990)


BindingDB Entry DOI: 10.7270/Q2FX78FR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50014707
PNG
(2-{4-[2-(2,4-Diamino-pteridin-6-yl)-propyl]-benzoy...)
Show SMILES CC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C21H23N7O5/c1-10(14-9-24-18-16(25-14)17(22)27-21(23)28-18)8-11-2-4-12(5-3-11)19(31)26-13(20(32)33)6-7-15(29)30/h2-5,9-10,13H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27,28)
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3.00E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards Dihydrofolate reductase derived from human manca leukemia cells


J Med Chem 33: 212-5 (1990)


BindingDB Entry DOI: 10.7270/Q2FX78FR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
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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3.90E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligand


J Med Chem 33: 212-5 (1990)


BindingDB Entry DOI: 10.7270/Q2FX78FR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50014706
PNG
(2-{4-[2-(2,4-Diamino-pteridin-6-yl)-butyl]-benzoyl...)
Show SMILES CCC(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C22H25N7O5/c1-2-12(15-10-25-19-17(26-15)18(23)28-22(24)29-19)9-11-3-5-13(6-4-11)20(32)27-14(21(33)34)7-8-16(30)31/h3-6,10,12,14H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)
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8.20E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL




J Med Chem 33: 212-5 (1990)


BindingDB Entry DOI: 10.7270/Q2FX78FR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM66082
PNG
((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
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/a 0n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1068-73 (1981)


BindingDB Entry DOI: 10.7270/Q2RJ4HHD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50226275
PNG
(CHEMBL267104)
Show SMILES Cc1c(CNc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(O)c12
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n/an/a 0.0000100n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 29: 1080-7 (1986)


BindingDB Entry DOI: 10.7270/Q2416XMQ
More data for this
Ligand-Target Pair
Thymidylate synthase/GAR transformylase/AICAR transformylase


(Homo sapiens (Human))
BDBM50016658
PNG
(2-{4-[3-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pteri...)
Show SMILES Nc1nc2NCC(CCCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1
Show InChI InChI=1S/C21H26N6O6/c22-21-26-17-16(19(31)27-21)24-13(10-23-17)3-1-2-11-4-6-12(7-5-11)18(30)25-14(20(32)33)8-9-15(28)29/h4-7,13-14,24H,1-3,8-10H2,(H,25,30)(H,28,29)(H,32,33)(H4,22,23,26,27,31)
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n/an/a 0.0000500n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of the GAR transformylase in lactobacillus casei


J Med Chem 32: 1277-83 (1989)


BindingDB Entry DOI: 10.7270/Q20K27J9
More data for this
Ligand-Target Pair
Thymidylate synthase


(Lactobacillus casei)
BDBM50226275
PNG
(CHEMBL267104)
Show SMILES Cc1c(CNc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(O)c12
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n/an/a 0.000120n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 29: 1080-7 (1986)


BindingDB Entry DOI: 10.7270/Q2416XMQ
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50016662
PNG
(2-{4-[3-(2-Amino-4-oxo-3,4,7,8-tetrahydro-pteridin...)
Show SMILES CC(CC1=Nc2c(NC1)nc(N)[nH]c2=O)Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |t:3|
Show InChI InChI=1S/C22H26N6O6/c1-11(9-14-10-24-18-17(25-14)20(32)28-22(23)27-18)8-12-2-4-13(5-3-12)19(31)26-15(21(33)34)6-7-16(29)30/h2-5,11,15H,6-10H2,1H3,(H,26,31)(H,29,30)(H,33,34)(H4,23,24,27,28,32)
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n/an/a 0.000550n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of the GAR transformylase in lactobacillus casei


J Med Chem 32: 1277-83 (1989)


BindingDB Entry DOI: 10.7270/Q20K27J9
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50016660
PNG
(2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pteri...)
Show SMILES Nc1nc2NC[C@H](CCNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1
Show InChI InChI=1S/C20H25N7O6/c21-20-26-16-15(18(31)27-20)24-12(9-23-16)7-8-22-11-3-1-10(2-4-11)17(30)25-13(19(32)33)5-6-14(28)29/h1-4,12-13,22,24H,5-9H2,(H,25,30)(H,28,29)(H,32,33)(H4,21,23,26,27,31)/t12-,13?/m0/s1
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n/an/a 0.00100n/an/an/an/an/an/a



University of South Alabama

Curated by ChEMBL


Assay Description
Inhibition of the GAR transformylase in lactobacillus casei


J Med Chem 32: 1277-83 (1989)


BindingDB Entry DOI: 10.7270/Q20K27J9
More data for this
Ligand-Target Pair
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