BDBM50097889 (1-Hydroxy-1-phosphono-hexyl)-phosphonic acid::1-hydroxyhexane-1,1-diyldiphosphonic acid::CHEMBL299988

SMILES: CCCCCC(O)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=LBPHBRVNBKGYTP-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50097889   

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))	BDBM50097889 ((1-Hydroxy-1-phosphono-hexyl)-phosphonic acid | 1-...) Show SMILES CCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C6H16O7P2/c1-2-3-4-5-6(7,14(8,9)10)15(11,12)13/h7H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi farnesyl pyrophosphate synthase				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair				3D Structure (docked)
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM50097889 ((1-Hydroxy-1-phosphono-hexyl)-phosphonic acid | 1-...) Show SMILES CCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C6H16O7P2/c1-2-3-4-5-6(7,14(8,9)10)15(11,12)13/h7H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.30E+4	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 the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).				J Med Chem 45: 2185-96 (2002) BindingDB Entry DOI: 10.7270/Q2KH0MN1
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50097889 ((1-Hydroxy-1-phosphono-hexyl)-phosphonic acid | 1-...) Show SMILES CCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C6H16O7P2/c1-2-3-4-5-6(7,14(8,9)10)15(11,12)13/h7H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi farnesyl pyrophosphate synthase				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair				3D Structure (docked)
Vacuolar-type proton translocating pyrophosphatase 1 (Trypanosoma brucei)	BDBM50097889 ((1-Hydroxy-1-phosphono-hexyl)-phosphonic acid | 1-...) Show SMILES CCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C6H16O7P2/c1-2-3-4-5-6(7,14(8,9)10)15(11,12)13/h7H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+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))	BDBM50097889 ((1-Hydroxy-1-phosphono-hexyl)-phosphonic acid | 1-...) Show SMILES CCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C6H16O7P2/c1-2-3-4-5-6(7,14(8,9)10)15(11,12)13/h7H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Trypanosoma brucei farnesyl pyrophosphate synthase activity				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair				3D Structure (docked)
Farnesyl pyrophosphate synthase (Plasmodium falciparum (isolate 3D7))	BDBM50097889 ((1-Hydroxy-1-phosphono-hexyl)-phosphonic acid | 1-...) Show SMILES CCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C6H16O7P2/c1-2-3-4-5-6(7,14(8,9)10)15(11,12)13/h7H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)	PDB KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+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 Leishmania major Farnesyl diphosphate synthase				J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5
					More data for this Ligand-Target Pair