BDBM50165352 CHEMBL192043::hydrogen 2-(3-ethylpyridinium-1-yl)-1-hydroxy-1-phosphonoethylphosphonate

SMILES: CCc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1

InChI Key: InChIKey=HVSBCPCHSZCYEN-UHFFFAOYSA-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 = 50165352   

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 pyrophosphate synthase (Plasmodium falciparum (isolate 3D7))	BDBM50165352 (CHEMBL192043 | hydrogen 2-(3-ethylpyridinium-1-yl)...) Show SMILES CCc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C9H15NO7P2/c1-2-8-4-3-5-10(6-8)7-9(11,18(12,13)14)19(15,16)17/h3-6,11H,2,7H2,1H3,(H3-,12,13,14,15,16,17)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair