BDBM50428307 CHEMBL2338371

SMILES: CCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1

InChI Key: InChIKey=ZHGCZVMLHXWWLN-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 = 50428307   

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))	BDBM50428307 (CHEMBL2338371) Show SMILES CCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C8H16N2O6P2/c1-2-3-9-4-5-10(7-9)6-8(17(11,12)13)18(14,15)16/h4-5,7-8H,2-3,6H2,1H3,(H3-,11,12,13,14,15,16)	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	140	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))	BDBM50428307 (CHEMBL2338371) Show SMILES CCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C8H16N2O6P2/c1-2-3-9-4-5-10(7-9)6-8(17(11,12)13)18(14,15)16/h4-5,7-8H,2-3,6H2,1H3,(H3-,11,12,13,14,15,16)	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	66	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