BDBM50135827 (Bis-phosphono-methyl)-propyl-ammonium::(phosphono-propylamino-methyl)-phosphonic acid::(propylamino)methylenediphosphonic acid::CHEMBL299717::propylaminomethylene-1,1-bisphosphonate

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

InChI Key: InChIKey=ZMJYKHJPXIYKGB-UHFFFAOYSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50135827   

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))	BDBM50135827 ((Bis-phosphono-methyl)-propyl-ammonium | (phosphon...) Show SMILES CCCN=C(P(O)(O)O)P(O)(O)=O |w:3.2| Show InChI InChI=1S/C4H13NO6P2/c1-2-3-5-4(12(6,7)8)13(9,10)11/h6-8,12H,2-3H2,1H3,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	160	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
Hexokinase (Trypanosoma cruzi)	BDBM50135827 ((Bis-phosphono-methyl)-propyl-ammonium | (phosphon...) Show SMILES CCCN=C(P(O)(O)O)P(O)(O)=O |w:3.2| Show InChI InChI=1S/C4H13NO6P2/c1-2-3-5-4(12(6,7)8)13(9,10)11/h6-8,12H,2-3H2,1H3,(H2,9,10,11)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.31E+12	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 Trypanosoma cruzi hexokinase				J Med Chem 49: 215-23 (2006) Article DOI: 10.1021/jm0582625 BindingDB Entry DOI: 10.7270/Q2BV7G6G
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50135827 ((Bis-phosphono-methyl)-propyl-ammonium | (phosphon...) Show SMILES CCCN=C(P(O)(O)O)P(O)(O)=O |w:3.2| Show InChI InChI=1S/C4H13NO6P2/c1-2-3-5-4(12(6,7)8)13(9,10)11/h6-8,12H,2-3H2,1H3,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.66E+3	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))	BDBM50135827 ((Bis-phosphono-methyl)-propyl-ammonium | (phosphon...) Show SMILES CCCN=C(P(O)(O)O)P(O)(O)=O |w:3.2| Show InChI InChI=1S/C4H13NO6P2/c1-2-3-5-4(12(6,7)8)13(9,10)11/h6-8,12H,2-3H2,1H3,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	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
Vacuolar-type proton translocating pyrophosphatase 1 (Trypanosoma brucei)	BDBM50135827 ((Bis-phosphono-methyl)-propyl-ammonium | (phosphon...) Show SMILES CCCN=C(P(O)(O)O)P(O)(O)=O |w:3.2| Show InChI InChI=1S/C4H13NO6P2/c1-2-3-5-4(12(6,7)8)13(9,10)11/h6-8,12H,2-3H2,1H3,(H2,9,10,11)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.77E+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