BDBM50033933 (R)-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-(3-nitro-phenyl)-acetic acid::CHEMBL6271
SMILES: Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@@H](C(O)=O)c4cccc(c4)[N+]([O-])=O)c(F)c3)cc2c(=O)[nH]1
InChI Key: InChIKey=RHVARXUYIFCWPP-AREMUKBSSA-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 (Mus musculus) | BDBM50033933 ((R)-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Zeneca Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of 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 |