BDBM50432390 CHEMBL2348548
SMILES: Cc1ncc(n1CCSc1nnc(o1)-c1ccc(F)cc1)[N+]([O-])=O
InChI Key: InChIKey=BRYOWEHYZQFCCX-UHFFFAOYSA-N
Data: 1 IC50
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)) | BDBM50432390 (CHEMBL2348548) | 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 | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University Curated by ChEMBL | Assay Description Inhibition of human thymidylate synthase by spectrophotometric analysis | Bioorg Med Chem 21: 2286-97 (2013) Article DOI: 10.1016/j.bmc.2013.02.008 BindingDB Entry DOI: 10.7270/Q2FN17K3 | |||||||||||
More data for this Ligand-Target Pair |