Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate synthase (264/264 = 100%)† (Escherichia coli) | BDBM18771 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 60 | -40.5 | n/a | n/a | n/a | n/a | n/a | 7.0 | 20 |
Università di Modena e Reggio Emilia | Assay Description The inhibition assay pattern for all of the compounds was determined by steady-state kinetic analysis of the dependence of the TS enzyme activity on ... | Chem Biol 10: 1183-93 (2003) Article DOI: 10.1016/j.chembiol.2003.11.012 BindingDB Entry DOI: 10.7270/Q2TT4PDH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate synthase (264/264 = 100%)† (Escherichia coli) | BDBM18771 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIMORE | Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi... | J Med Chem 49: 5958-68 (2006) Article DOI: 10.1021/jm051187d BindingDB Entry DOI: 10.7270/Q2S180R0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate synthase (264/264 = 100%)† (Escherichia coli) | BDBM18771 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University | Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi... | J Med Chem 52: 4892-902 (2009) Article DOI: 10.1021/jm900490a BindingDB Entry DOI: 10.7270/Q2CR5RPK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate synthase (264/264 = 100%)† (Escherichia coli) | BDBM18771 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University | Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi... | J Med Chem 51: 68-76 (2008) Article DOI: 10.1021/jm701052u BindingDB Entry DOI: 10.7270/Q2057D6N | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate synthase (264/264 = 100%)† (Escherichia coli) | BDBM242739 (US9422297, PDDF) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University of the Holy Ghost US Patent | Assay Description Inhibition of various kinase enzyme. | US Patent US9422297 (2016) BindingDB Entry DOI: 10.7270/Q2MC8XX9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate synthase (264/264 = 100%)† (Escherichia coli) | BDBM18771 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University | Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi... | J Med Chem 48: 7215-22 (2005) Article DOI: 10.1021/jm058234m BindingDB Entry DOI: 10.7270/Q2CV4G0Z | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate synthase (263/264 > 99%)† (Escherichia coli) | BDBM18771 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...) | PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of Escherichia coli thymidylate synthase | J Med Chem 47: 6730-9 (2004) Article DOI: 10.1021/jm040144e BindingDB Entry DOI: 10.7270/Q23N247N | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate synthase (263/264 > 99%)† (Escherichia coli) | BDBM18771 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...) | PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of Escherichia coli thymidylate synthase | J Med Chem 47: 6893-901 (2004) Article DOI: 10.1021/jm040123k BindingDB Entry DOI: 10.7270/Q2V40W1Z | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate synthase (263/264 > 99%)† (Escherichia coli) | BDBM18771 ((2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-...) | PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibitory activity against Escherichia coli thymidylate synthase | J Med Chem 44: 1993-2003 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8F6N | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |