Found 31 hits for monomerid = 50006683,50006685,50006689,50006694,50014497,50014501,50014504,50014505,50014506,50014511,50014512,50014513,50014516,50014525,50037313 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Thymidylate synthase
(Mus musculus) | BDBM50006689
 ((S)-2-(2-fluoro-4-(((2-methyl-4-oxo-3,4-dihydroqui...)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H23FN4O6/c1-3-10-30(13-15-4-7-20-18(11-15)24(34)28-14(2)27-20)16-5-6-17(19(26)12-16)23(33)29-21(25(35)36)8-9-22(31)32/h1,4-7,11-12,21H,8-10,13H2,2H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS |
J Med Chem 35: 859-66 (1992)
Article DOI: 10.1021/jm00083a008 BindingDB Entry DOI: 10.7270/Q2G44RG7 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50006685
 (2-{2,6-Difluoro-4-[(2-methyl-4-oxo-3,4-dihydro-qui...)Show SMILES Cc1nc2ccc(CN(CC#C)c3cc(F)c(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H22F2N4O6/c1-3-8-31(12-14-4-5-19-16(9-14)23(34)29-13(2)28-19)15-10-17(26)22(18(27)11-15)24(35)30-20(25(36)37)6-7-21(32)33/h1,4-5,9-11,20H,6-8,12H2,2H3,(H,30,35)(H,32,33)(H,36,37)(H,28,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase from L1210 cells |
J Med Chem 35: 2321-7 (1992)
Article DOI: 10.1021/jm00090a024 BindingDB Entry DOI: 10.7270/Q2XW4HRJ |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50006694
 ((S)-2-(2-fluoro-4-(methyl((2-methyl-4-oxo-3,4-dihy...)Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c1 Show InChI InChI=1S/C23H23FN4O6/c1-12-25-18-6-3-13(9-16(18)22(32)26-12)11-28(2)14-4-5-15(17(24)10-14)21(31)27-19(23(33)34)7-8-20(29)30/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,27,31)(H,29,30)(H,33,34)(H,25,26,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase from L1210 cells |
J Med Chem 35: 2321-7 (1992)
Article DOI: 10.1021/jm00090a024 BindingDB Entry DOI: 10.7270/Q2XW4HRJ |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50006689
 ((S)-2-(2-fluoro-4-(((2-methyl-4-oxo-3,4-dihydroqui...)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H23FN4O6/c1-3-10-30(13-15-4-7-20-18(11-15)24(34)28-14(2)27-20)16-5-6-17(19(26)12-16)23(33)29-21(25(35)36)8-9-22(31)32/h1,4-7,11-12,21H,8-10,13H2,2H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Concentration of the compound required to inhibit 50% activity of Thymidylate synthase was determined |
J Med Chem 33: 3067-71 (1990)
Article DOI: 10.1021/jm00173a025 BindingDB Entry DOI: 10.7270/Q2V40T5X |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50014497
 ((S)-2-(2-fluoro-4-(((2-(hydroxymethyl)-4-oxo-3,4-d...)Show SMILES OCc1nc2ccc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H23FN4O7/c1-2-9-30(12-14-3-6-19-17(10-14)24(35)29-21(13-31)27-19)15-4-5-16(18(26)11-15)23(34)28-20(25(36)37)7-8-22(32)33/h1,3-6,10-11,20,31H,7-9,12-13H2,(H,28,34)(H,32,33)(H,36,37)(H,27,29,35)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Concentration of the compound required to inhibit 50% activity of Thymidylate synthase was determined |
J Med Chem 33: 3067-71 (1990)
Article DOI: 10.1021/jm00173a025 BindingDB Entry DOI: 10.7270/Q2V40T5X |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50006689
 ((S)-2-(2-fluoro-4-(((2-methyl-4-oxo-3,4-dihydroqui...)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H23FN4O6/c1-3-10-30(13-15-4-7-20-18(11-15)24(34)28-14(2)27-20)16-5-6-17(19(26)12-16)23(33)29-21(25(35)36)8-9-22(31)32/h1,4-7,11-12,21H,8-10,13H2,2H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of partially purified thymidylate synthase (TS) |
J Med Chem 33: 3072-8 (1990)
Article DOI: 10.1021/jm00173a026 BindingDB Entry DOI: 10.7270/Q2QC02G1 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50014504
 ((S)-2-(4-((cyanomethyl)((2-methyl-4-oxo-3,4-dihydr...)Show SMILES Cc1nc2ccc(CN(CC#N)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H22FN5O6/c1-13-27-19-5-2-14(10-17(19)23(34)28-13)12-30(9-8-26)15-3-4-16(18(25)11-15)22(33)29-20(24(35)36)6-7-21(31)32/h2-5,10-11,20H,6-7,9,12H2,1H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of partially purified thymidylate synthase (TS) |
J Med Chem 33: 3072-8 (1990)
Article DOI: 10.1021/jm00173a026 BindingDB Entry DOI: 10.7270/Q2QC02G1 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50014506
 ((S)-2-(4-(ethyl((2-methyl-4-oxo-3,4-dihydroquinazo...)Show SMILES CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c1 Show InChI InChI=1S/C24H25FN4O6/c1-3-29(12-14-4-7-19-17(10-14)23(33)27-13(2)26-19)15-5-6-16(18(25)11-15)22(32)28-20(24(34)35)8-9-21(30)31/h4-7,10-11,20H,3,8-9,12H2,1-2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of partially purified thymidylate synthase (TS) |
J Med Chem 33: 3072-8 (1990)
Article DOI: 10.1021/jm00173a026 BindingDB Entry DOI: 10.7270/Q2QC02G1 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50014512
 ((S)-2-(2-fluoro-4-((3-hydroxypropyl)((2-methyl-4-o...)Show SMILES Cc1nc2ccc(CN(CCCO)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H27FN4O7/c1-14-27-20-6-3-15(11-18(20)24(35)28-14)13-30(9-2-10-31)16-4-5-17(19(26)12-16)23(34)29-21(25(36)37)7-8-22(32)33/h3-6,11-12,21,31H,2,7-10,13H2,1H3,(H,29,34)(H,32,33)(H,36,37)(H,27,28,35)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of partially purified thymidylate synthase (TS) |
J Med Chem 33: 3072-8 (1990)
Article DOI: 10.1021/jm00173a026 BindingDB Entry DOI: 10.7270/Q2QC02G1 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50014516
 ((S)-2-(4-(allyl((2-methyl-4-oxo-3,4-dihydroquinazo...)Show SMILES Cc1nc2ccc(CN(CC=C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H25FN4O6/c1-3-10-30(13-15-4-7-20-18(11-15)24(34)28-14(2)27-20)16-5-6-17(19(26)12-16)23(33)29-21(25(35)36)8-9-22(31)32/h3-7,11-12,21H,1,8-10,13H2,2H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34)/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of partially purified thymidylate synthase (TS) |
J Med Chem 33: 3072-8 (1990)
Article DOI: 10.1021/jm00173a026 BindingDB Entry DOI: 10.7270/Q2QC02G1 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50014501
 ((S)-2-(2-fluoro-4-((2-fluoroethyl)((2-methyl-4-oxo...)Show SMILES Cc1nc2ccc(CN(CCF)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H24F2N4O6/c1-13-27-19-5-2-14(10-17(19)23(34)28-13)12-30(9-8-25)15-3-4-16(18(26)11-15)22(33)29-20(24(35)36)6-7-21(31)32/h2-5,10-11,20H,6-9,12H2,1H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of partially purified thymidylate synthase (TS) |
J Med Chem 33: 3072-8 (1990)
Article DOI: 10.1021/jm00173a026 BindingDB Entry DOI: 10.7270/Q2QC02G1 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50014525
 ((S)-2-(4-((2-amino-2-oxoethyl)((2-methyl-4-oxo-3,4...)Show SMILES Cc1nc2ccc(CN(CC(N)=O)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H24FN5O7/c1-12-27-18-5-2-13(8-16(18)23(35)28-12)10-30(11-20(26)31)14-3-4-15(17(25)9-14)22(34)29-19(24(36)37)6-7-21(32)33/h2-5,8-9,19H,6-7,10-11H2,1H3,(H2,26,31)(H,29,34)(H,32,33)(H,36,37)(H,27,28,35)/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of partially purified thymidylate synthase (TS) |
J Med Chem 33: 3072-8 (1990)
Article DOI: 10.1021/jm00173a026 BindingDB Entry DOI: 10.7270/Q2QC02G1 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50014505
 ((S)-2-(2-fluoro-4-((2-hydroxyethyl)((2-methyl-4-ox...)Show SMILES Cc1nc2ccc(CN(CCO)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H25FN4O7/c1-13-26-19-5-2-14(10-17(19)23(34)27-13)12-29(8-9-30)15-3-4-16(18(25)11-15)22(33)28-20(24(35)36)6-7-21(31)32/h2-5,10-11,20,30H,6-9,12H2,1H3,(H,28,33)(H,31,32)(H,35,36)(H,26,27,34)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of partially purified thymidylate synthase (TS) |
J Med Chem 33: 3072-8 (1990)
Article DOI: 10.1021/jm00173a026 BindingDB Entry DOI: 10.7270/Q2QC02G1 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50014513
 ((S)-2-(2-fluoro-4-((2-methyl-4-oxo-3,4-dihydroquin...)Show SMILES Cc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C22H21FN4O6/c1-11-25-17-5-2-12(8-15(17)21(31)26-11)10-24-13-3-4-14(16(23)9-13)20(30)27-18(22(32)33)6-7-19(28)29/h2-5,8-9,18,24H,6-7,10H2,1H3,(H,27,30)(H,28,29)(H,32,33)(H,25,26,31)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of partially purified thymidylate synthase (TS) |
J Med Chem 33: 3072-8 (1990)
Article DOI: 10.1021/jm00173a026 BindingDB Entry DOI: 10.7270/Q2QC02G1 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50006694
 ((S)-2-(2-fluoro-4-(methyl((2-methyl-4-oxo-3,4-dihy...)Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c1 Show InChI InChI=1S/C23H23FN4O6/c1-12-25-18-6-3-13(9-16(18)22(32)26-12)11-28(2)14-4-5-15(17(24)10-14)21(31)27-19(23(33)34)7-8-20(29)30/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,27,31)(H,29,30)(H,33,34)(H,25,26,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of partially purified thymidylate synthase (TS) |
J Med Chem 33: 3072-8 (1990)
Article DOI: 10.1021/jm00173a026 BindingDB Entry DOI: 10.7270/Q2QC02G1 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50014511
 ((S)-2-(4-((2-aminoethyl)((2-methyl-4-oxo-3,4-dihyd...)Show SMILES Cc1nc2ccc(CN(CCN)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H26FN5O6/c1-13-27-19-5-2-14(10-17(19)23(34)28-13)12-30(9-8-26)15-3-4-16(18(25)11-15)22(33)29-20(24(35)36)6-7-21(31)32/h2-5,10-11,20H,6-9,12,26H2,1H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ICI Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of partially purified thymidylate synthase (TS) |
J Med Chem 33: 3072-8 (1990)
Article DOI: 10.1021/jm00173a026 BindingDB Entry DOI: 10.7270/Q2QC02G1 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50014512
 ((S)-2-(2-fluoro-4-((3-hydroxypropyl)((2-methyl-4-o...)Show SMILES Cc1nc2ccc(CN(CCCO)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H27FN4O7/c1-14-27-20-6-3-15(11-18(20)24(35)28-14)13-30(9-2-10-31)16-4-5-17(19(26)12-16)23(34)29-21(25(36)37)7-8-22(32)33/h3-6,11-12,21,31H,2,7-10,13H2,1H3,(H,29,34)(H,32,33)(H,36,37)(H,27,28,35)/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 589 | n/a | n/a | n/a | n/a | n/a | n/a |
Meerut Institute of Engineering and Technology
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase |
Eur J Med Chem 45: 1560-71 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.065 BindingDB Entry DOI: 10.7270/Q2D50P61 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50014497
 ((S)-2-(2-fluoro-4-(((2-(hydroxymethyl)-4-oxo-3,4-d...)Show SMILES OCc1nc2ccc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H23FN4O7/c1-2-9-30(12-14-3-6-19-17(10-14)24(35)29-21(13-31)27-19)15-4-5-16(18(26)11-15)23(34)28-20(25(36)37)7-8-22(32)33/h1,3-6,10-11,20,31H,7-9,12-13H2,(H,28,34)(H,32,33)(H,36,37)(H,27,29,35)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Meerut Institute of Engineering and Technology
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase |
Eur J Med Chem 45: 1560-71 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.065 BindingDB Entry DOI: 10.7270/Q2D50P61 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50014516
 ((S)-2-(4-(allyl((2-methyl-4-oxo-3,4-dihydroquinazo...)Show SMILES Cc1nc2ccc(CN(CC=C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H25FN4O6/c1-3-10-30(13-15-4-7-20-18(11-15)24(34)28-14(2)27-20)16-5-6-17(19(26)12-16)23(33)29-21(25(35)36)8-9-22(31)32/h3-7,11-12,21H,1,8-10,13H2,2H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34)/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Meerut Institute of Engineering and Technology
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase |
Eur J Med Chem 45: 1560-71 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.065 BindingDB Entry DOI: 10.7270/Q2D50P61 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50006689
 ((S)-2-(2-fluoro-4-(((2-methyl-4-oxo-3,4-dihydroqui...)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H23FN4O6/c1-3-10-30(13-15-4-7-20-18(11-15)24(34)28-14(2)27-20)16-5-6-17(19(26)12-16)23(33)29-21(25(35)36)8-9-22(31)32/h1,4-7,11-12,21H,8-10,13H2,2H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Meerut Institute of Engineering and Technology
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase |
Eur J Med Chem 45: 1560-71 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.065 BindingDB Entry DOI: 10.7270/Q2D50P61 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50014506
 ((S)-2-(4-(ethyl((2-methyl-4-oxo-3,4-dihydroquinazo...)Show SMILES CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c1 Show InChI InChI=1S/C24H25FN4O6/c1-3-29(12-14-4-7-19-17(10-14)23(33)27-13(2)26-19)15-5-6-16(18(25)11-15)22(32)28-20(24(34)35)8-9-21(30)31/h4-7,10-11,20H,3,8-9,12H2,1-2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Meerut Institute of Engineering and Technology
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase |
Eur J Med Chem 45: 1560-71 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.065 BindingDB Entry DOI: 10.7270/Q2D50P61 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50014525
 ((S)-2-(4-((2-amino-2-oxoethyl)((2-methyl-4-oxo-3,4...)Show SMILES Cc1nc2ccc(CN(CC(N)=O)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H24FN5O7/c1-12-27-18-5-2-13(8-16(18)23(35)28-12)10-30(11-20(26)31)14-3-4-15(17(25)9-14)22(34)29-19(24(36)37)6-7-21(32)33/h2-5,8-9,19H,6-7,10-11H2,1H3,(H2,26,31)(H,29,34)(H,32,33)(H,36,37)(H,27,28,35)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Meerut Institute of Engineering and Technology
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase |
Eur J Med Chem 45: 1560-71 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.065 BindingDB Entry DOI: 10.7270/Q2D50P61 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50014511
 ((S)-2-(4-((2-aminoethyl)((2-methyl-4-oxo-3,4-dihyd...)Show SMILES Cc1nc2ccc(CN(CCN)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H26FN5O6/c1-13-27-19-5-2-14(10-17(19)23(34)28-13)12-30(9-8-26)15-3-4-16(18(25)11-15)22(33)29-20(24(35)36)6-7-21(31)32/h2-5,10-11,20H,6-9,12,26H2,1H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Meerut Institute of Engineering and Technology
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase |
Eur J Med Chem 45: 1560-71 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.065 BindingDB Entry DOI: 10.7270/Q2D50P61 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50014513
 ((S)-2-(2-fluoro-4-((2-methyl-4-oxo-3,4-dihydroquin...)Show SMILES Cc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C22H21FN4O6/c1-11-25-17-5-2-12(8-15(17)21(31)26-11)10-24-13-3-4-14(16(23)9-13)20(30)27-18(22(32)33)6-7-19(28)29/h2-5,8-9,18,24H,6-7,10H2,1H3,(H,27,30)(H,28,29)(H,32,33)(H,25,26,31)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Meerut Institute of Engineering and Technology
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase |
Eur J Med Chem 45: 1560-71 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.065 BindingDB Entry DOI: 10.7270/Q2D50P61 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50006694
 ((S)-2-(2-fluoro-4-(methyl((2-methyl-4-oxo-3,4-dihy...)Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c1 Show InChI InChI=1S/C23H23FN4O6/c1-12-25-18-6-3-13(9-16(18)22(32)26-12)11-28(2)14-4-5-15(17(24)10-14)21(31)27-19(23(33)34)7-8-20(29)30/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,27,31)(H,29,30)(H,33,34)(H,25,26,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Meerut Institute of Engineering and Technology
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase |
Eur J Med Chem 45: 1560-71 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.065 BindingDB Entry DOI: 10.7270/Q2D50P61 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50014504
 ((S)-2-(4-((cyanomethyl)((2-methyl-4-oxo-3,4-dihydr...)Show SMILES Cc1nc2ccc(CN(CC#N)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H22FN5O6/c1-13-27-19-5-2-14(10-17(19)23(34)28-13)12-30(9-8-26)15-3-4-16(18(25)11-15)22(33)29-20(24(35)36)6-7-21(31)32/h2-5,10-11,20H,6-7,9,12H2,1H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Meerut Institute of Engineering and Technology
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase |
Eur J Med Chem 45: 1560-71 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.065 BindingDB Entry DOI: 10.7270/Q2D50P61 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50014505
 ((S)-2-(2-fluoro-4-((2-hydroxyethyl)((2-methyl-4-ox...)Show SMILES Cc1nc2ccc(CN(CCO)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H25FN4O7/c1-13-26-19-5-2-14(10-17(19)23(34)27-13)12-29(8-9-30)15-3-4-16(18(25)11-15)22(33)28-20(24(35)36)6-7-21(31)32/h2-5,10-11,20,30H,6-9,12H2,1H3,(H,28,33)(H,31,32)(H,35,36)(H,26,27,34)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Meerut Institute of Engineering and Technology
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase |
Eur J Med Chem 45: 1560-71 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.065 BindingDB Entry DOI: 10.7270/Q2D50P61 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50014501
 ((S)-2-(2-fluoro-4-((2-fluoroethyl)((2-methyl-4-oxo...)Show SMILES Cc1nc2ccc(CN(CCF)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H24F2N4O6/c1-13-27-19-5-2-14(10-17(19)23(34)28-13)12-30(9-8-25)15-3-4-16(18(26)11-15)22(33)29-20(24(35)36)6-7-21(31)32/h2-5,10-11,20H,6-9,12H2,1H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34)/t20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Meerut Institute of Engineering and Technology
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase |
Eur J Med Chem 45: 1560-71 (2010)
Article DOI: 10.1016/j.ejmech.2009.12.065 BindingDB Entry DOI: 10.7270/Q2D50P61 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50037313
 ((R)-4-((R)-1-Carboxy-ethylcarbamoyl)-2-{2-fluoro-4...)Show SMILES C[C@@H](NC(=O)CC[C@@H](NC(=O)c1ccc(cc1F)N(CC#C)Cc1ccc2nc(C)[nH]c(=O)c2c1)C(O)=O)C(O)=O Show InChI InChI=1S/C28H28FN5O7/c1-4-11-34(14-17-5-8-22-20(12-17)26(37)32-16(3)31-22)18-6-7-19(21(29)13-18)25(36)33-23(28(40)41)9-10-24(35)30-15(2)27(38)39/h1,5-8,12-13,15,23H,9-11,14H2,2-3H3,(H,30,35)(H,33,36)(H,38,39)(H,40,41)(H,31,32,37)/t15-,23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Tested for inhibition against thymidylate synthase(TS) which is partially purified from L1210 mouse leukemia cells |
J Med Chem 37: 3294-302 (1994)
Article DOI: 10.1021/jm00046a014 BindingDB Entry DOI: 10.7270/Q2QV3N50 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50006683
 (2-{2,6-Difluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihy...)Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1cc(F)c(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c1 Show InChI InChI=1S/C23H22F2N4O6/c1-11-26-17-4-3-12(7-14(17)21(32)27-11)10-29(2)13-8-15(24)20(16(25)9-13)22(33)28-18(23(34)35)5-6-19(30)31/h3-4,7-9,18H,5-6,10H2,1-2H3,(H,28,33)(H,30,31)(H,34,35)(H,26,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase from L1210 cells |
J Med Chem 35: 2321-7 (1992)
Article DOI: 10.1021/jm00090a024 BindingDB Entry DOI: 10.7270/Q2XW4HRJ |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Mus musculus) | BDBM50006689
 ((S)-2-(2-fluoro-4-(((2-methyl-4-oxo-3,4-dihydroqui...)Show SMILES Cc1nc2ccc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 Show InChI InChI=1S/C25H23FN4O6/c1-3-10-30(13-15-4-7-20-18(11-15)24(34)28-14(2)27-20)16-5-6-17(19(26)12-16)23(33)29-21(25(35)36)8-9-22(31)32/h1,4-7,11-12,21H,8-10,13H2,2H3,(H,29,33)(H,31,32)(H,35,36)(H,27,28,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of thymidylate synthase from L1210 cells |
J Med Chem 35: 2321-7 (1992)
Article DOI: 10.1021/jm00090a024 BindingDB Entry DOI: 10.7270/Q2XW4HRJ |
More data for this Ligand-Target Pair | |