BDBM50367024 CHEMBL606019

SMILES: CCc1cn(C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O

InChI Key: InChIKey=SIHFJGHFGIXZKJ-UUBZBTQISA-N

Data: 1 KI

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 = 50367024   

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 (Escherichia coli)	BDBM50367024 (CHEMBL606019) Show SMILES CCc1cn(C2O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C11H17N2O9P/c1-2-5-3-13(11(17)12-9(5)16)10-8(15)7(14)6(22-10)4-21-23(18,19)20/h3,6-8,10,14-15H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7-,8+,10?/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dTMP synthetase with respect to dUMP.				J Med Chem 24: 1161-5 (1982) BindingDB Entry DOI: 10.7270/Q2B56K8B
					More data for this Ligand-Target Pair