BDBM25272 CHEMBL238046::bisphosphonate, 25::hydrogen {2-[dodecyl(methyl)sulfanylium]-1-phosphonoethyl}phosphonate

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

InChI Key: InChIKey=NYXTVKKWHZOSOD-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 = 25272   

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))	BDBM25272 (CHEMBL238046 | bisphosphonate, 25 | hydrogen {2-[d...) Show SMILES CCCCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C15H34O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-24(2)14-15(22(16,17)18)23(19,20)21/h15H,3-14H2,1-2H3,(H3-,16,17,18,19,20,21)	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	260	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))	BDBM25272 (CHEMBL238046 | bisphosphonate, 25 | hydrogen {2-[d...) Show SMILES CCCCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C15H34O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-24(2)14-15(22(16,17)18)23(19,20)21/h15H,3-14H2,1-2H3,(H3-,16,17,18,19,20,21)	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	1.23E+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