BDBM50367025 CHEMBL603336

SMILES: O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@H]1O)n1ccc(=O)[nH]c1=O

InChI Key: InChIKey=DJJCXFVJDGTHFX-STUHELBRSA-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 = 50367025   

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)	BDBM50367025 (CHEMBL603336) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7+,8?/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+4	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