BDBM50415845 CHEMBL1094275
SMILES: Cc1nc2ccc(CN(CCO)c3cnc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
InChI Key: InChIKey=VIWVDLMJXRITSZ-HNNXBMFYSA-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)) | BDBM50415845 (CHEMBL1094275) | 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 | 417 | n/a | n/a | n/a | n/a | n/a | n/a |
Meerut Institute of Engineering and Technology Curated by ChEMBL | Assay Description Inhibition of thymidylate synthase | Eur J Med Chem 45: 1560-71 (2010) Article DOI: 10.1016/j.ejmech.2009.12.065 BindingDB Entry DOI: 10.7270/Q2D50P61 | |||||||||||
More data for this Ligand-Target Pair |