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Compile Data Set for Download or QSAR

Found 100 hits of ic50 for UniProtKB: P00375   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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n/an/a 2n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase(DHFR) isolated from L1210 murine leukemia cells


J Med Chem 31: 763-8 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50041670
PNG
(2-{4-[2-(2-Amino-4-hydroxy-6,7-dihydro-5H-cyclopen...)
Show SMILES Nc1nc2CCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1S/C21H24N4O6/c22-21-24-14-8-7-12(17(14)19(29)25-21)4-1-11-2-5-13(6-3-11)18(28)23-15(20(30)31)9-10-16(26)27/h2-3,5-6,12,15H,1,4,7-10H2,(H,23,28)(H,26,27)(H,30,31)(H3,22,24,25,29)
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n/an/a 2.10n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of dihydrofolate reductase in P388 cells


J Med Chem 37: 1616-24 (1994)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50134784
PNG
(CHEMBL526243 | TCMDC-137820)
Show SMILES Nc1nc(N)c2c3ccn(Cc4ccc(cc4)C#N)c3ccc2n1
Show InChI InChI=1S/C18H14N6/c19-9-11-1-3-12(4-2-11)10-24-8-7-13-15(24)6-5-14-16(13)17(20)23-18(21)22-14/h1-8H,10H2,(H4,20,21,22,23)
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n/an/a 4n/an/an/an/an/an/a



Oregon Health& Science University

Curated by ChEMBL


Assay Description
Inhibition of DHFR in mouse L1210 cells using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition by spectrofluorometri...


Medchemcomm 6: 510-520 (2015)

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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n/an/a 6.60n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of dihydrofolate reductase in P388 cells


J Med Chem 37: 1616-24 (1994)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50041672
PNG
(2-{4-[3-(2,4-Diamino-6,7-dihydro-5H-cyclopentapyri...)
Show SMILES Nc1nc2CCC(CCCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c2c(N)n1
Show InChI InChI=1S/C22H27N5O5/c23-19-18-13(8-9-15(18)26-22(24)27-19)3-1-2-12-4-6-14(7-5-12)20(30)25-16(21(31)32)10-11-17(28)29/h4-7,13,16H,1-3,8-11H2,(H,25,30)(H,28,29)(H,31,32)(H4,23,24,26,27)
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n/an/a 7.10n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of dihydrofolate reductase in P388 cells


J Med Chem 37: 1616-24 (1994)

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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n/an/a 11n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of dihydrofolate reductase in P388 cells


J Med Chem 37: 1616-24 (1994)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023721
PNG
(5-(4-Chloro-benzoylamino)-2-{4-[(2,4-diamino-pteri...)
Show SMILES Nc1nc(N)c2nc(CN(C=O)c3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccc(Cl)cc3)C(O)=O)cnc2n1
Show InChI InChI=1S/C27H26ClN9O5/c28-17-7-3-15(4-8-17)24(39)31-11-1-2-20(26(41)42)34-25(40)16-5-9-19(10-6-16)37(14-38)13-18-12-32-23-21(33-18)22(29)35-27(30)36-23/h3-10,12,14,20H,1-2,11,13H2,(H,31,39)(H,34,40)(H,41,42)(H4,29,30,32,35,36)
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n/an/a 15n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells


J Med Chem 31: 1332-7 (1988)

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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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase (DHFR) from murine L1210 leukemia cells.


J Med Chem 29: 1703-9 (1986)

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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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase (DHFR) from murine L1210 leukemia cells.


J Med Chem 29: 1703-9 (1986)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50020099
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCCCC(O)=O)C(O)=O
Show InChI InChI=1S/C24H30N8O5/c1-32(13-15-12-27-21-19(28-15)20(25)30-24(26)31-21)16-10-8-14(9-11-16)22(35)29-17(23(36)37)6-4-2-3-5-7-18(33)34/h8-12,17H,2-7,13H2,1H3,(H,29,35)(H,33,34)(H,36,37)(H4,25,26,27,30,31)
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n/an/a 23n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cells


J Med Chem 31: 1338-44 (1988)

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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n/an/a 25n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cells


J Med Chem 31: 1338-44 (1988)

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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n/an/a 25n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cells


J Med Chem 31: 1338-44 (1988)

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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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase(DHFR) from L1210/R81 cells


J Med Chem 30: 1463-9 (1987)

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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n/an/a 25n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells


J Med Chem 31: 1332-7 (1988)

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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n/an/a 25n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from mouse cells (L1210/R71).


J Med Chem 34: 574-9 (1991)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50020100
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCCCCCCCC(O)=O)C(O)=O
Show InChI InChI=1S/C28H38N8O5/c1-36(17-19-16-31-25-23(32-19)24(29)34-28(30)35-25)20-14-12-18(13-15-20)26(39)33-21(27(40)41)10-8-6-4-2-3-5-7-9-11-22(37)38/h12-16,21H,2-11,17H2,1H3,(H,33,39)(H,37,38)(H,40,41)(H4,29,30,31,34,35)
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n/an/a 26n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cells


J Med Chem 31: 1338-44 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023713
PNG
(5-Benzoylamino-2-{4-[(2,4-diamino-pteridin-6-ylmet...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3)C(O)=O)cnc2n1
Show InChI InChI=1S/C26H27N9O4/c27-21-20-22(35-26(28)34-21)31-14-18(32-20)13-30-17-10-8-16(9-11-17)24(37)33-19(25(38)39)7-4-12-29-23(36)15-5-2-1-3-6-15/h1-3,5-6,8-11,14,19,30H,4,7,12-13H2,(H,29,36)(H,33,37)(H,38,39)(H4,27,28,31,34,35)
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n/an/a 27n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells


J Med Chem 31: 1332-7 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023718
PNG
(5-Acetylamino-2-{4-[(2,4-diamino-pteridin-6-ylmeth...)
Show SMILES CC(=O)NCCCC(NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(O)=O
Show InChI InChI=1S/C21H25N9O4/c1-11(31)24-8-2-3-15(20(33)34)28-19(32)12-4-6-13(7-5-12)25-9-14-10-26-18-16(27-14)17(22)29-21(23)30-18/h4-7,10,15,25H,2-3,8-9H2,1H3,(H,24,31)(H,28,32)(H,33,34)(H4,22,23,26,29,30)
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n/an/a 28n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells


J Med Chem 31: 1332-7 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023722
PNG
(5-(4-Chloro-benzoylamino)-2-{4-[(2,4-diamino-pteri...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccc(Cl)cc3)C(O)=O)cnc2n1
Show InChI InChI=1S/C26H26ClN9O4/c27-16-7-3-14(4-8-16)23(37)30-11-1-2-19(25(39)40)34-24(38)15-5-9-17(10-6-15)31-12-18-13-32-22-20(33-18)21(28)35-26(29)36-22/h3-10,13,19,31H,1-2,11-12H2,(H,30,37)(H,34,38)(H,39,40)(H4,28,29,32,35,36)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells


J Med Chem 31: 1332-7 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50020098
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCCCCCC(O)=O)C(O)=O
Show InChI InChI=1S/C26H34N8O5/c1-34(15-17-14-29-23-21(30-17)22(27)32-26(28)33-23)18-12-10-16(11-13-18)24(37)31-19(25(38)39)8-6-4-2-3-5-7-9-20(35)36/h10-14,19H,2-9,15H2,1H3,(H,31,37)(H,35,36)(H,38,39)(H4,27,28,29,32,33)
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n/an/a 29n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cells


J Med Chem 31: 1338-44 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023896
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)Nc1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C26H27N9O6/c1-35(12-15-11-29-23-21(31-15)22(27)33-26(28)34-23)16-5-2-13(3-6-16)24(39)32-17(25(40)41)7-9-20(38)30-14-4-8-18(36)19(37)10-14/h2-6,8,10-11,17,36-37H,7,9,12H2,1H3,(H,30,38)(H,32,39)(H,40,41)(H4,27,28,29,33,34)
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase ( DHFR ) from murine L1210 leukemia cells.


J Med Chem 29: 1703-9 (1986)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50020097
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCCCCC(O)=O)C(O)=O
Show InChI InChI=1S/C25H32N8O5/c1-33(14-16-13-28-22-20(29-16)21(26)31-25(27)32-22)17-11-9-15(10-12-17)23(36)30-18(24(37)38)7-5-3-2-4-6-8-19(34)35/h9-13,18H,2-8,14H2,1H3,(H,30,36)(H,34,35)(H,37,38)(H4,26,27,28,31,32)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cells


J Med Chem 31: 1338-44 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50022332
PNG
(5-(2-Chloro-acetylamino)-2-{4-[(2,4-diamino-pterid...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)CCl)C(O)=O
Show InChI InChI=1S/C22H26ClN9O4/c1-32(11-13-10-27-19-17(28-13)18(24)30-22(25)31-19)14-6-4-12(5-7-14)20(34)29-15(21(35)36)3-2-8-26-16(33)9-23/h4-7,10,15H,2-3,8-9,11H2,1H3,(H,26,33)(H,29,34)(H,35,36)(H4,24,25,27,30,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase(DHFR) from L1210/R81 cells


J Med Chem 30: 1463-9 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50022329
PNG
(6-(2-Chloro-acetylamino)-2-{4-[(2,4-diamino-pterid...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCNC(=O)CCl)C(O)=O
Show InChI InChI=1S/C23H28ClN9O4/c1-33(12-14-11-28-20-18(29-14)19(25)31-23(26)32-20)15-7-5-13(6-8-15)21(35)30-16(22(36)37)4-2-3-9-27-17(34)10-24/h5-8,11,16H,2-4,9-10,12H2,1H3,(H,27,34)(H,30,35)(H,36,37)(H4,25,26,28,31,32)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase(DHFR) from L1210/R81 cells


J Med Chem 30: 1463-9 (1987)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023720
PNG
(5-(3-Carboxy-propionylamino)-2-{4-[(2,4-diamino-pt...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C23H27N9O6/c24-19-18-20(32-23(25)31-19)28-11-14(29-18)10-27-13-5-3-12(4-6-13)21(36)30-15(22(37)38)2-1-9-26-16(33)7-8-17(34)35/h3-6,11,15,27H,1-2,7-10H2,(H,26,33)(H,30,36)(H,34,35)(H,37,38)(H4,24,25,28,31,32)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells


J Med Chem 31: 1332-7 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023712
PNG
(5-Benzoylamino-2-{4-[(2,4-diamino-pteridin-6-ylmet...)
Show SMILES Nc1nc(N)c2nc(CN(C=O)c3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3)C(O)=O)cnc2n1
Show InChI InChI=1S/C27H27N9O5/c28-22-21-23(35-27(29)34-22)31-13-18(32-21)14-36(15-37)19-10-8-17(9-11-19)25(39)33-20(26(40)41)7-4-12-30-24(38)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15,20H,4,7,12,14H2,(H,30,38)(H,33,39)(H,40,41)(H4,28,29,31,34,35)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells


J Med Chem 31: 1332-7 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50020106
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCCCCCCC(O)=O)C(O)=O
Show InChI InChI=1S/C27H36N8O5/c1-35(16-18-15-30-24-22(31-18)23(28)33-27(29)34-24)19-13-11-17(12-14-19)25(38)32-20(26(39)40)9-7-5-3-2-4-6-8-10-21(36)37/h11-15,20H,2-10,16H2,1H3,(H,32,38)(H,36,37)(H,39,40)(H4,28,29,30,33,34)
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n/an/a 34n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cells


J Med Chem 31: 1338-44 (1988)

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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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit purified dihydrofolate reductase(DHFR) from L1210/R81 cells


J Med Chem 29: 655-60 (1986)

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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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit purified dihydrofolate reductase(DHFR) from L1210/R81 cells


J Med Chem 29: 655-60 (1986)

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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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit dihydrofolate reductase purified from murine L1210 cells


J Med Chem 29: 1872-6 (1986)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from mouse cells (L1210/R71).


J Med Chem 34: 574-9 (1991)

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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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells


J Med Chem 31: 1332-7 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023405
PNG
(3-(Carboxymethyl-{4-[(2,4-diamino-pteridin-6-ylmet...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N(CCC(O)=O)CC(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-27(9-12-8-23-18-16(24-12)17(21)25-20(22)26-18)13-4-2-11(3-5-13)19(33)28(10-15(31)32)7-6-14(29)30/h2-5,8H,6-7,9-10H2,1H3,(H,29,30)(H,31,32)(H4,21,22,23,25,26)
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n/an/a 38n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase(DHFR)


J Med Chem 31: 763-8 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023890
PNG
(4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-2-{4-[(2,4-diam...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)Nc1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C27H27N9O6/c1-36(12-16-11-30-24-22(32-16)23(28)34-27(29)35-24)17-5-2-14(3-6-17)25(38)33-18(26(39)40)7-9-21(37)31-15-4-8-19-20(10-15)42-13-41-19/h2-6,8,10-11,18H,7,9,12-13H2,1H3,(H,31,37)(H,33,38)(H,39,40)(H4,28,29,30,34,35)
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase (DHFR) from murine L1210 leukemia cells.


J Med Chem 29: 1703-9 (1986)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023897
PNG
(4-tert-Butylcarbamoyl-2-{4-[(2,4-diamino-pteridin-...)
Show SMILES CC(C)(C)NC(=O)CCC(NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(O)=O
Show InChI InChI=1S/C23H29N9O4/c1-23(2,3)32-16(33)9-8-15(21(35)36)29-20(34)12-4-6-13(7-5-12)26-10-14-11-27-19-17(28-14)18(24)30-22(25)31-19/h4-7,11,15,26H,8-10H2,1-3H3,(H,29,34)(H,32,33)(H,35,36)(H4,24,25,27,30,31)
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n/an/a 44n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase (DHFR) from murine L1210 leukemia cells.


J Med Chem 29: 1703-9 (1986)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023898
PNG
(4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-2-{4-[(2,4-diam...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)Nc3ccc4OCOc4c3)C(O)=O)cnc2n1
Show InChI InChI=1S/C26H25N9O6/c27-22-21-23(35-26(28)34-22)30-11-16(32-21)10-29-14-3-1-13(2-4-14)24(37)33-17(25(38)39)6-8-20(36)31-15-5-7-18-19(9-15)41-12-40-18/h1-5,7,9,11,17,29H,6,8,10,12H2,(H,31,36)(H,33,37)(H,38,39)(H4,27,28,30,34,35)
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase (DHFR) from murine L1210 leukemia cells.


J Med Chem 29: 1703-9 (1986)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023717
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccc(Cl)c(Cl)c3)C(O)=O)cnc2n1
Show InChI InChI=1S/C26H25Cl2N9O4/c27-17-8-5-14(10-18(17)28)23(38)31-9-1-2-19(25(40)41)35-24(39)13-3-6-15(7-4-13)32-11-16-12-33-22-20(34-16)21(29)36-26(30)37-22/h3-8,10,12,19,32H,1-2,9,11H2,(H,31,38)(H,35,39)(H,40,41)(H4,29,30,33,36,37)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells


J Med Chem 31: 1332-7 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50022330
PNG
(5-(2-Bromo-acetylamino)-2-{4-[(2,4-diamino-pteridi...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)CBr)C(O)=O
Show InChI InChI=1S/C22H26BrN9O4/c1-32(11-13-10-27-19-17(28-13)18(24)30-22(25)31-19)14-6-4-12(5-7-14)20(34)29-15(21(35)36)3-2-8-26-16(33)9-23/h4-7,10,15H,2-3,8-9,11H2,1H3,(H,26,33)(H,29,34)(H,35,36)(H4,24,25,27,30,31)
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase(DHFR) from L1210/R81 cells


J Med Chem 30: 1463-9 (1987)

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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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards dihydrofolate reductase in L1210 murine leukemia cell lines


J Med Chem 27: 888-93 (1984)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50011320
PNG
(CHEMBL18155 | N-(4-Carboxy-4-{4-[(2,4-diamino-pter...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3C(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36)
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n/an/a 52n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from mouse cells (L1210/R71).


J Med Chem 34: 574-9 (1991)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50011320
PNG
(CHEMBL18155 | N-(4-Carboxy-4-{4-[(2,4-diamino-pter...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3C(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36)
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n/an/a 52n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells


J Med Chem 31: 1332-7 (1988)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023716
PNG
(5-Acetylamino-2-{4-[(2,4-diamino-pteridin-6-ylmeth...)
Show SMILES CC(=O)NCCCC(NC(=O)c1ccc(cc1)N(Cc1cnc2nc(N)nc(N)c2n1)C=O)C(O)=O
Show InChI InChI=1S/C22H25N9O5/c1-12(33)25-8-2-3-16(21(35)36)28-20(34)13-4-6-15(7-5-13)31(11-32)10-14-9-26-19-17(27-14)18(23)29-22(24)30-19/h4-7,9,11,16H,2-3,8,10H2,1H3,(H,25,33)(H,28,34)(H,35,36)(H4,23,24,26,29,30)
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n/an/a 53n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells


J Med Chem 31: 1332-7 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023714
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-formyl-ami...)
Show SMILES Nc1nc(N)c2nc(CN(C=O)c3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccc(Cl)c(Cl)c3)C(O)=O)cnc2n1
Show InChI InChI=1S/C27H25Cl2N9O5/c28-18-8-5-15(10-19(18)29)24(40)32-9-1-2-20(26(42)43)35-25(41)14-3-6-17(7-4-14)38(13-39)12-16-11-33-23-21(34-16)22(30)36-27(31)37-23/h3-8,10-11,13,20H,1-2,9,12H2,(H,32,40)(H,35,41)(H,42,43)(H4,30,31,33,36,37)
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n/an/a 56n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells


J Med Chem 31: 1332-7 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023899
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)Nc3ccc(O)c(O)c3)C(O)=O)cnc2n1
Show InChI InChI=1S/C25H25N9O6/c26-21-20-22(34-25(27)33-21)29-11-15(31-20)10-28-13-3-1-12(2-4-13)23(38)32-16(24(39)40)6-8-19(37)30-14-5-7-17(35)18(36)9-14/h1-5,7,9,11,16,28,35-36H,6,8,10H2,(H,30,37)(H,32,38)(H,39,40)(H4,26,27,29,33,34)
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n/an/a 57n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase ( DHFR ) from murine L1210 leukemia cells.


J Med Chem 29: 1703-9 (1986)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023894
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)Nc3ccccc3)C(O)=O)cnc2n1
Show InChI InChI=1S/C25H25N9O4/c26-21-20-22(34-25(27)33-21)29-13-17(31-20)12-28-15-8-6-14(7-9-15)23(36)32-18(24(37)38)10-11-19(35)30-16-4-2-1-3-5-16/h1-9,13,18,28H,10-12H2,(H,30,35)(H,32,36)(H,37,38)(H4,26,27,29,33,34)
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase (DHFR) from murine L1210 leukemia cells.


J Med Chem 29: 1703-9 (1986)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50041671
PNG
(2-{4-[3-(2-Amino-4-hydroxy-6,7-dihydro-5H-cyclopen...)
Show SMILES Nc1nc2CCC(CCCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1S/C22H26N4O6/c23-22-25-15-9-8-13(18(15)20(30)26-22)3-1-2-12-4-6-14(7-5-12)19(29)24-16(21(31)32)10-11-17(27)28/h4-7,13,16H,1-3,8-11H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)
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n/an/a 60n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of dihydrofolate reductase in P388 cells


J Med Chem 37: 1616-24 (1994)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023707
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCP(O)(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C18H21N8O6P/c19-14-13-15(26-18(20)25-14)22-8-11(23-13)7-21-10-3-1-9(2-4-10)16(27)24-12(17(28)29)5-6-33(30,31)32/h1-4,8,12,21H,5-7H2,(H,24,27)(H,28,29)(H2,30,31,32)(H4,19,20,22,25,26)
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n/an/a 63n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) in mouse L1210 leukemia cells


J Med Chem 31: 1326-31 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50019388
PNG
(6-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCN)C(O)=O
Show InChI InChI=1S/C21H27N9O3/c1-30(11-13-10-25-18-16(26-13)17(23)28-21(24)29-18)14-7-5-12(6-8-14)19(31)27-15(20(32)33)4-2-3-9-22/h5-8,10,15H,2-4,9,11,22H2,1H3,(H,27,31)(H,32,33)(H4,23,24,25,28,29)
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n/an/a 65n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit purified dihydrofolate reductase(DHFR) from L1210/R81 cells


J Med Chem 29: 655-60 (1986)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023705
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCCP(O)(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C20H25N8O6P/c21-16-15-17(28-20(22)27-16)24-10-13(25-15)9-23-12-6-4-11(5-7-12)18(29)26-14(19(30)31)3-1-2-8-35(32,33)34/h4-7,10,14,23H,1-3,8-9H2,(H,26,29)(H,30,31)(H2,32,33,34)(H4,21,22,24,27,28)
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n/an/a 67n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) in mouse L1210 leukemia cells


J Med Chem 31: 1326-31 (1988)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50020104
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCCCCCCCCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C27H36N8O5/c28-23-22-24(35-27(29)34-23)31-16-19(32-22)15-30-18-13-11-17(12-14-18)25(38)33-20(26(39)40)9-7-5-3-1-2-4-6-8-10-21(36)37/h11-14,16,20,30H,1-10,15H2,(H,33,38)(H,36,37)(H,39,40)(H4,28,29,31,34,35)
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n/an/a 67n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Tested for inhibition against purified Dihydrofolate reductase from L1210 murine leukemia cells


J Med Chem 31: 1338-44 (1988)

More data for this
Ligand-Target Pair
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