BDBM25287 CHEMBL235690::bisphosphonate, 37::hydrogen {2-[methyl(octyl)sulfanylium]-1-phosphonoethyl}phosphonate

SMILES: CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O

InChI Key: InChIKey=HJUIIHFOXRYVDU-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 = 25287   

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))	BDBM25287 (CHEMBL235690 | bisphosphonate, 37 | hydrogen {2-[m...) Show SMILES CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C11H26O6P2S/c1-3-4-5-6-7-8-9-20(2)10-11(18(12,13)14)19(15,16)17/h11H,3-10H2,1-2H3,(H3-,12,13,14,15,16,17)	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	360	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 human FPPS				J Med Chem 50: 6067-79 (2007) Article DOI: 10.1021/jm700991k BindingDB Entry DOI: 10.7270/Q2CZ36VH
					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM25287 (CHEMBL235690 | bisphosphonate, 37 | hydrogen {2-[m...) Show SMILES CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C11H26O6P2S/c1-3-4-5-6-7-8-9-20(2)10-11(18(12,13)14)19(15,16)17/h11H,3-10H2,1-2H3,(H3-,12,13,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
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