BDBM50135817 (Bis-phosphono-methyl)-butyl-ammonium::(Butylamino-phosphono-methyl)-phosphonic acid::(butylamino)methylene-1,1-bisphosphonate::(butylamino)methylenediphosphonic acid::CHEMBL55608

SMILES: CCCCN=C(P(O)(O)O)P(O)(O)=O

InChI Key: InChIKey=XDAIKMHOFUNAHT-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50135817   

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))	BDBM50135817 ((Bis-phosphono-methyl)-butyl-ammonium | (Butylamin...) Show SMILES CCCCN=C(P(O)(O)O)P(O)(O)=O |w:4.3| Show InChI InChI=1S/C5H15NO6P2/c1-2-3-4-6-5(13(7,8)9)14(10,11)12/h7-9,13H,2-4H2,1H3,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand				J Med Chem 46: 5171-83 (2003) Article DOI: 10.1021/jm0302344 BindingDB Entry DOI: 10.7270/Q24M93Z8
					More data for this Ligand-Target Pair
Vacuolar-type proton translocating pyrophosphatase 1 (Trypanosoma brucei)	BDBM50135817 ((Bis-phosphono-methyl)-butyl-ammonium | (Butylamin...) Show SMILES CCCCN=C(P(O)(O)O)P(O)(O)=O |w:4.3| Show InChI InChI=1S/C5H15NO6P2/c1-2-3-4-6-5(13(7,8)9)14(10,11)12/h7-9,13H,2-4H2,1H3,(H2,10,11,12)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.33E+4	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 recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli				J Med Chem 48: 6128-39 (2005) Article DOI: 10.1021/jm058220g BindingDB Entry DOI: 10.7270/Q2F47PX2
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50135817 ((Bis-phosphono-methyl)-butyl-ammonium | (Butylamin...) Show SMILES CCCCN=C(P(O)(O)O)P(O)(O)=O |w:4.3| Show InChI InChI=1S/C5H15NO6P2/c1-2-3-4-6-5(13(7,8)9)14(10,11)12/h7-9,13H,2-4H2,1H3,(H2,10,11,12)	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	209	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M)				J Med Chem 46: 5171-83 (2003) Article DOI: 10.1021/jm0302344 BindingDB Entry DOI: 10.7270/Q24M93Z8
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50135817 ((Bis-phosphono-methyl)-butyl-ammonium | (Butylamin...) Show SMILES CCCCN=C(P(O)(O)O)P(O)(O)=O |w:4.3| Show InChI InChI=1S/C5H15NO6P2/c1-2-3-4-6-5(13(7,8)9)14(10,11)12/h7-9,13H,2-4H2,1H3,(H2,10,11,12)	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	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against farnesyl Pyrophosphate Synthase was determined				J Med Chem 46: 5171-83 (2003) Article DOI: 10.1021/jm0302344 BindingDB Entry DOI: 10.7270/Q24M93Z8
					More data for this Ligand-Target Pair