BDBM50000058 CHEMBL3230503

SMILES: O[C@H]1C[C@@H](O[C@@H]1CCP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O

InChI Key: InChIKey=AVQMCZOTCNTEPR-XLPZGREQSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000058   

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 (TS) (Lactobacillus casei)	BDBM50000058 (CHEMBL3230503) Show SMILES O[C@H]1C[C@@H](O[C@@H]1CCP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H14FN2O7P/c11-5-4-13(10(16)12-9(5)15)8-3-6(14)7(20-8)1-2-21(17,18)19/h4,6-8,14H,1-3H2,(H,12,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Lactobacillus casei thymidylate synthetase using dUMP as substrate preincubated for 20 mins followed by substrate addition				J Med Chem 22: 109-11 (1979) BindingDB Entry DOI: 10.7270/Q2J967XZ
					More data for this Ligand-Target Pair