BDBM50428313 CHEMBL2338377

SMILES: CCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1

InChI Key: InChIKey=YJYKOYSRAYSHJW-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 = 50428313   

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))	BDBM50428313 (CHEMBL2338377) Show SMILES CCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C14H28N2O6P2/c1-2-3-4-5-6-7-8-9-15-10-11-16(13-15)12-14(23(17,18)19)24(20,21)22/h10-11,13-14H,2-9,12H2,1H3,(H3-,17,18,19,20,21,22)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
PrenylX Research Institute Curated by ChEMBL					Assay Description Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis				ACS Med Chem Lett 4: 423-427 (2013) Article DOI: 10.1021/ml4000436 BindingDB Entry DOI: 10.7270/Q2KP83GB
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50428313 (CHEMBL2338377) Show SMILES CCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C14H28N2O6P2/c1-2-3-4-5-6-7-8-9-15-10-11-16(13-15)12-14(23(17,18)19)24(20,21)22/h10-11,13-14H,2-9,12H2,1H3,(H3-,17,18,19,20,21,22)	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	43	n/a	n/a	n/a	n/a	n/a	n/a
PrenylX Research Institute Curated by ChEMBL					Assay Description Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...				ACS Med Chem Lett 4: 423-427 (2013) Article DOI: 10.1021/ml4000436 BindingDB Entry DOI: 10.7270/Q2KP83GB
					More data for this Ligand-Target Pair