Search and Browse
Download
Enter Data
| 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) | BDBM18770 (1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet  | PC cid PC sid UniChem Similars | Article PubMed | 1.10E+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 (Escherichia coli) | BDBM18770 (1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.10E+3 | -33.4 | 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 | |||||||||||||
| Thymidylate synthase (Lactobacillus casei) | BDBM18770 (1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.80E+3 | -32.2 | 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) | ||||||||||||
| Thymidylate synthase (Lactobacillus casei) | BDBM18770 (1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.80E+3 | -32.2 | 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 (docked) | ||||||||||||
| Thymidylate synthase (Cryptococcus neoformans) | BDBM18770 (1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 6.50E+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 | |||||||||||||
| Dihydrofolate reductase (Homo sapiens (Human)) | BDBM18770 (1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.20E+4 | 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 (Pneumocystis carinii) | BDBM18770 (1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.20E+4 | -26.1 | 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 | |||||||||||||
| Thymidylate synthase (Homo sapiens (Human)) | BDBM18770 (1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...) | 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 | |||||||||||||
| Thymidylate synthase (Homo sapiens (Human)) | BDBM18770 (1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...) | 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 | >-20.3 | 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 | |||||||||||||
| Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major) | BDBM18770 (1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >1.08E+6 | >-16.6 | 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 | |||||||||||||
