BDBM50031853 ((3E,7E)-4,8,12-Trimethyl-1-phosphono-trideca-3,7,11-trienyl)-phosphonic acid::(2E,6E)-farnesylbisphosphonate::2E,6E-farnesyl bisphosphonate::CHEMBL86513

SMILES: [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](/P([#8])([#8])=O)P([#8])([#8])=O

InChI Key: InChIKey=GCIMOAWUDYGORG-NTEUORMPSA-N

Data: 3 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 3 hits for monomerid = 50031853   

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
Squalene synthetase (Rattus norvegicus)	BDBM50031853 (((3E,7E)-4,8,12-Trimethyl-1-phosphono-trideca-3,7,...) Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](/P([#8])([#8])=O)P([#8])([#8])=O Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32.4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition rat liver microsomal squalene synthase				J Med Chem 38: 2596-605 (1995) BindingDB Entry DOI: 10.7270/Q2BV7FNW
					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM50031853 (((3E,7E)-4,8,12-Trimethyl-1-phosphono-trideca-3,7,...) Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](/P([#8])([#8])=O)P([#8])([#8])=O Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9+	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	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria				Bioorg Med Chem 16: 390-9 (2008) Article DOI: 10.1016/j.bmc.2007.09.029 BindingDB Entry DOI: 10.7270/Q26M37PP
					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM50031853 (((3E,7E)-4,8,12-Trimethyl-1-phosphono-trideca-3,7,...) Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](/P([#8])([#8])=O)P([#8])([#8])=O Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9+	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	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria				Bioorg Med Chem 16: 3652-60 (2008) Article DOI: 10.1016/j.bmc.2008.02.016 BindingDB Entry DOI: 10.7270/Q2TB17RN
					More data for this Ligand-Target Pair