BDBM50422651 CHEMBL607412::UK-2213

SMILES: ON(CCCP(O)(O)=O)C(=O)c1cccc2ccccc12

InChI Key: InChIKey=GQEOAWGCRFYWAA-UHFFFAOYSA-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 = 50422651   

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
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50422651 (CHEMBL607412 | UK-2213) Show SMILES ON(CCCP(O)(O)=O)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C14H16NO5P/c16-14(15(17)9-4-10-21(18,19)20)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,17H,4,9-10H2,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Curated by ChEMBL					Assay Description Inhibitory concentration against DOXP reductoisomerase				J Med Chem 48: 3547-63 (2005) Article DOI: 10.1021/jm0491501 BindingDB Entry DOI: 10.7270/Q2VH5Q21
					More data for this Ligand-Target Pair