BDBM25276 1-(2-hydrogen phosphonato-2-phosphonoethyl)-3-(oct-1-yn-1-yl)pyridin-1-ium::bisphosphonate, 29

SMILES: CCCCCCC#Cc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1

InChI Key: InChIKey=AGSIJQACQLIDMB-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 = 25276   

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
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM25276 (1-(2-hydrogen phosphonato-2-phosphonoethyl)-3-(oct...) Show SMILES CCCCCCC#Cc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C15H23NO6P2/c1-2-3-4-5-6-7-9-14-10-8-11-16(12-14)13-15(23(17,18)19)24(20,21)22/h8,10-12,15H,2-6,13H2,1H3,(H3-,17,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	7.0	37
National Taiwan University					Assay Description The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...				J Med Chem 51: 5594-607 (2008) Article DOI: 10.1021/jm800325y BindingDB Entry DOI: 10.7270/Q2028PVT
					More data for this Ligand-Target Pair