BDBM50426847 CHEMBL2323368
SMILES: CC1(C)C(=O)c2cccc3cccc(C1=O)c23
InChI Key: InChIKey=AYWMGPVWKRJKOT-UHFFFAOYSA-N
Data: 2 KI
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 (Homo sapiens (Human)) | BDBM50426847 (CHEMBL2323368) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL | Assay Description Inhibition of human thymidylate synthase A | Bioorg Med Chem Lett 23: 663-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.117 BindingDB Entry DOI: 10.7270/Q27W6DHQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate Synthase (TS) (Escherichia coli) | BDBM50426847 (CHEMBL2323368) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >5.88E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL | Assay Description Inhibition of Escherichia coli thymidylate synthase A | Bioorg Med Chem Lett 23: 663-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.117 BindingDB Entry DOI: 10.7270/Q27W6DHQ | |||||||||||
More data for this Ligand-Target Pair |