BDBM50403877 CHEMBL103105
SMILES: Cc1nc2cc3CC[C@H](N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCCS(=O)(=O)c4nnc[nH]4)C(O)=O)c3cc2c(=O)[nH]1
InChI Key: InChIKey=FIZXILPZWMCMSD-ZCYQVOJMSA-N
Data: 1 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 (Mus musculus) | BDBM50403877 (CHEMBL103105) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CRC Laboratory Curated by ChEMBL | Assay Description Tested for inhibitory activity against thymidylate synthase of L1210 cells | Bioorg Med Chem Lett 11: 3015-7 (2001) BindingDB Entry DOI: 10.7270/Q2NK3G7F | |||||||||||
More data for this Ligand-Target Pair |