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 (Escherichia coli) | BDBM18757 (1,2-naphthalein derivative, 3 | 3,3-bis(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.50E+3 | -32.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 20 |
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 | |||||||||||||
Thymidylate synthase (Lactobacillus casei) | BDBM18757 (1,2-naphthalein derivative, 3 | 3,3-bis(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.00E+3 | -32.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 20 |
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 (docked) | ||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM18757 (1,2-naphthalein derivative, 3 | 3,3-bis(4-hydroxy-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIMORE | Assay Description DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy... | 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 | |||||||||||||
Thymidylate synthase (Cryptococcus neoformans) | BDBM18757 (1,2-naphthalein derivative, 3 | 3,3-bis(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.50E+3 | 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 | |||||||||||||
Thymidylate synthase (Homo sapiens (Human)) | BDBM18757 (1,2-naphthalein derivative, 3 | 3,3-bis(4-hydroxy-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >2.45E+5 | 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 |