null
SMILES: CC(C)[C@@H](NC(=O)c1ccc(cc1F)N(CC#C)Cc1cc2c(cc1C)nc(C)[nH]c2=O)C(O)=O
InChI Key: InChIKey=LTQCSMIKXLRUAA-HSZRJFAPSA-N
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) | BDBM50033920 ((R)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazol...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeneca Pharmaceuticals Curated by ChEMBL | Assay Description Ability to inhibit Thymidylate synthase purified from mouse L1210 leukemia cells that overproduce thymidylate synthase (TS) | J Med Chem 38: 994-1004 (1995) BindingDB Entry DOI: 10.7270/Q2J67FZ7 | |||||||||||
More data for this Ligand-Target Pair |