BDBM50370779 CHEMBL199858

SMILES: OC(Cn1cnc2ccccc12)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=YETRAIFXPZXEDB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50370779   

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
Farnesyl diphosphate synthase (Escherichia coli K-12)	BDBM50370779 (CHEMBL199858) Show SMILES OC(Cn1cnc2ccccc12)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana - Champaign Curated by ChEMBL					Assay Description Inhibition of Escherichia coli FPPS				J Med Chem 49: 7331-41 (2006) Article DOI: 10.1021/jm060492b BindingDB Entry DOI: 10.7270/Q24J0HW7
					More data for this Ligand-Target Pair
Hexokinase (Trypanosoma cruzi)	BDBM50370779 (CHEMBL199858) Show SMILES OC(Cn1cnc2ccccc12)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+12	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi hexokinase				J Med Chem 49: 215-23 (2006) Article DOI: 10.1021/jm0582625 BindingDB Entry DOI: 10.7270/Q2BV7G6G
					More data for this Ligand-Target Pair