BDBM50421090 CHEMBL2048247

SMILES: COc1ccc(cc1)-c1ccnc(NC(P(O)(O)=O)P(O)(O)=O)c1

InChI Key: InChIKey=PYQUPGVPAROEBN-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 = 50421090   

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 (Homo sapiens (Human))	BDBM50421090 (CHEMBL2048247) Show SMILES COc1ccc(cc1)-c1ccnc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C13H16N2O7P2/c1-22-11-4-2-9(3-5-11)10-6-7-14-12(8-10)15-13(23(16,17)18)24(19,20)21/h2-8,13H,1H3,(H,14,15)(H2,16,17,18)(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human His6-tagged recombinant FPPS expressed in Escherichia coli BL21(DE3) using GPP and [3H]IPP as substrate incubated for 5 mins prio...				Bioorg Med Chem 20: 5583-91 (2012) Article DOI: 10.1016/j.bmc.2012.07.019 BindingDB Entry DOI: 10.7270/Q2J67J6M
					More data for this Ligand-Target Pair