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 (Homo sapiens (Human)) | BDBM18245 ((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 540 | 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 | |||||||||||||
Thymidylate synthase (Homo sapiens (Human)) | BDBM18245 ((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 540 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of human thymidylate synthase at 30 degC under pH 7.4 by spectrophotometry | Bioorg Med Chem 18: 953-61 (2010) Article DOI: 10.1016/j.bmc.2009.11.029 BindingDB Entry DOI: 10.7270/Q25B03FP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Escherichia coli) | BDBM18245 ((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.80E+5 | 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 (docked) |