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PubMed code 1995883

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50406470
PNG
(CHEMBL157857)
Show SMILES Nc1nc2ncc(NCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)
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n/an/a 210n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) in WIL2 cells


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50003896
PNG
((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...)
Show SMILES Nc1nc2NCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)
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n/an/a 220n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase in hog liver


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50406468
PNG
(CHEMBL156551)
Show SMILES CN(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)[nH]c(=O)c2c1
Show InChI InChI=1S/C21H22N6O6/c1-27(13-8-14-17(23-9-13)25-21(22)26-19(14)31)10-11-2-4-12(5-3-11)18(30)24-15(20(32)33)6-7-16(28)29/h2-5,8-9,15H,6-7,10H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,22,23,25,26,31)
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n/an/a 250n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) in WIL2 cells


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (human))
BDBM50406468
PNG
(CHEMBL156551)
Show SMILES CN(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)[nH]c(=O)c2c1
Show InChI InChI=1S/C21H22N6O6/c1-27(13-8-14-17(23-9-13)25-21(22)26-19(14)31)10-11-2-4-12(5-3-11)18(30)24-15(20(32)33)6-7-16(28)29/h2-5,8-9,15H,6-7,10H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,22,23,25,26,31)
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n/an/a 480n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase (TS) in human


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50406471
PNG
(CHEMBL157775)
Show SMILES Nc1nc2ncc(cc2c(=O)[nH]1)N(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)C=O
Show InChI InChI=1S/C21H20N6O7/c22-21-25-17-14(19(32)26-21)7-13(8-23-17)27(10-28)9-11-1-3-12(4-2-11)18(31)24-15(20(33)34)5-6-16(29)30/h1-4,7-8,10,15H,5-6,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,22,23,25,26,32)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) in WIL2 cells


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase in hog liver


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50406472
PNG
(CHEMBL157230)
Show SMILES Nc1nc2NCC(Cc2c(=O)[nH]1)NCc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H24N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,12,14,22H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase in hog liver


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (human))
BDBM50406470
PNG
(CHEMBL157857)
Show SMILES Nc1nc2ncc(NCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase (TS) in human


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50406469
PNG
(CHEMBL156308)
Show SMILES CN(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)C1CNc2nc(N)[nH]c(=O)c2C1
Show InChI InChI=1S/C21H26N6O6/c1-27(13-8-14-17(23-9-13)25-21(22)26-19(14)31)10-11-2-4-12(5-3-11)18(30)24-15(20(32)33)6-7-16(28)29/h2-5,13,15H,6-10H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,22,23,25,26,31)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase in hog liver


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (human))
BDBM50406471
PNG
(CHEMBL157775)
Show SMILES Nc1nc2ncc(cc2c(=O)[nH]1)N(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)C=O
Show InChI InChI=1S/C21H20N6O7/c22-21-25-17-14(19(32)26-21)7-13(8-23-17)27(10-28)9-11-1-3-12(4-2-11)18(31)24-15(20(33)34)5-6-16(29)30/h1-4,7-8,10,15H,5-6,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,22,23,25,26,32)
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n/an/a 2.88E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase (TS) in human


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50406471
PNG
(CHEMBL157775)
Show SMILES Nc1nc2ncc(cc2c(=O)[nH]1)N(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)C=O
Show InChI InChI=1S/C21H20N6O7/c22-21-25-17-14(19(32)26-21)7-13(8-23-17)27(10-28)9-11-1-3-12(4-2-11)18(31)24-15(20(33)34)5-6-16(29)30/h1-4,7-8,10,15H,5-6,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,22,23,25,26,32)
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n/an/a 4.99E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of 5-aminoimidazole-4-carboxamide AICAR formyltransferase in MOLT-4 cells


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50406470
PNG
(CHEMBL157857)
Show SMILES Nc1nc2ncc(NCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)
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n/an/a 6.28E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of 5-aminoimidazole-4-carboxamide AICAR formyltransferase in MOLT-4 cells


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50406470
PNG
(CHEMBL157857)
Show SMILES Nc1nc2ncc(NCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)
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n/an/a 8.59E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase in hog liver


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a 9.40E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of 5-aminoimidazole-4-carboxamide AICAR formyltransferase in MOLT-4 cells


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50406472
PNG
(CHEMBL157230)
Show SMILES Nc1nc2NCC(Cc2c(=O)[nH]1)NCc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H24N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,12,14,22H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of 5-aminoimidazole-4-carboxamide AICAR formyltransferase in MOLT-4 cells


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (human))
BDBM50406469
PNG
(CHEMBL156308)
Show SMILES CN(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)C1CNc2nc(N)[nH]c(=O)c2C1
Show InChI InChI=1S/C21H26N6O6/c1-27(13-8-14-17(23-9-13)25-21(22)26-19(14)31)10-11-2-4-12(5-3-11)18(30)24-15(20(32)33)6-7-16(28)29/h2-5,13,15H,6-10H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,22,23,25,26,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase (TS) in human


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) in WIL2 cells


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50406471
PNG
(CHEMBL157775)
Show SMILES Nc1nc2ncc(cc2c(=O)[nH]1)N(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)C=O
Show InChI InChI=1S/C21H20N6O7/c22-21-25-17-14(19(32)26-21)7-13(8-23-17)27(10-28)9-11-1-3-12(4-2-11)18(31)24-15(20(33)34)5-6-16(29)30/h1-4,7-8,10,15H,5-6,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,22,23,25,26,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase in hog liver


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (human))
BDBM50406472
PNG
(CHEMBL157230)
Show SMILES Nc1nc2NCC(Cc2c(=O)[nH]1)NCc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H24N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,12,14,22H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase (TS) in human


Citation and Details
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50406468
PNG
(CHEMBL156551)
Show SMILES CN(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)[nH]c(=O)c2c1
Show InChI InChI=1S/C21H22N6O6/c1-27(13-8-14-17(23-9-13)25-21(22)26-19(14)31)10-11-2-4-12(5-3-11)18(30)24-15(20(32)33)6-7-16(28)29/h2-5,8-9,15H,6-7,10H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,22,23,25,26,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of GAR transformylase in hog liver


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50003896
PNG
((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...)
Show SMILES Nc1nc2NCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) in WIL2 cells


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50406469
PNG
(CHEMBL156308)
Show SMILES CN(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)C1CNc2nc(N)[nH]c(=O)c2C1
Show InChI InChI=1S/C21H26N6O6/c1-27(13-8-14-17(23-9-13)25-21(22)26-19(14)31)10-11-2-4-12(5-3-11)18(30)24-15(20(32)33)6-7-16(28)29/h2-5,13,15H,6-10H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,22,23,25,26,31)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of 5-aminoimidazole-4-carboxamide AICAR formyltransferase in MOLT-4 cells


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (human))
BDBM50005520
PNG
((S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimid...)
Show SMILES Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase (TS) in human


Citation and Details
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM50406468
PNG
(CHEMBL156551)
Show SMILES CN(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)c1cnc2nc(N)[nH]c(=O)c2c1
Show InChI InChI=1S/C21H22N6O6/c1-27(13-8-14-17(23-9-13)25-21(22)26-19(14)31)10-11-2-4-12(5-3-11)18(30)24-15(20(32)33)6-7-16(28)29/h2-5,8-9,15H,6-7,10H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,22,23,25,26,31)
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n/an/a 1.41E+5n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of 5-aminoimidazole-4-carboxamide AICAR formyltransferase in MOLT-4 cells


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50406472
PNG
(CHEMBL157230)
Show SMILES Nc1nc2NCC(Cc2c(=O)[nH]1)NCc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H24N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,12,14,22H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) in WIL2 cells


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50406469
PNG
(CHEMBL156308)
Show SMILES CN(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)C1CNc2nc(N)[nH]c(=O)c2C1
Show InChI InChI=1S/C21H26N6O6/c1-27(13-8-14-17(23-9-13)25-21(22)26-19(14)31)10-11-2-4-12(5-3-11)18(30)24-15(20(32)33)6-7-16(28)29/h2-5,13,15H,6-10H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,22,23,25,26,31)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) in WIL2 cells


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (human))
BDBM50003896
PNG
((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...)
Show SMILES Nc1nc2NCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase (TS) in human


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%