BDBM50097886 (1-Hydroxy-1-phosphono-octyl)-phosphonic acid::1-hydroxyoctane-1,1-diyldiphosphonic acid::CHEMBL298547

SMILES: CCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=ITCAYUFDTCVNTE-UHFFFAOYSA-N

Data: 2 KI  6 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 8 hits for monomerid = 50097886   

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))	BDBM50097886 ((1-Hydroxy-1-phosphono-octyl)-phosphonic acid | 1-...) Show SMILES CCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H20O7P2/c1-2-3-4-5-6-7-8(9,16(10,11)12)17(13,14)15/h9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	980	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 Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50097886 ((1-Hydroxy-1-phosphono-octyl)-phosphonic acid | 1-...) Show SMILES CCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H20O7P2/c1-2-3-4-5-6-7-8(9,16(10,11)12)17(13,14)15/h9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90E+3	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
Farnesyl pyrophosphate synthase (Plasmodium falciparum (isolate 3D7))	BDBM50097886 ((1-Hydroxy-1-phosphono-octyl)-phosphonic acid | 1-...) Show SMILES CCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H20O7P2/c1-2-3-4-5-6-7-8(9,16(10,11)12)17(13,14)15/h9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.99E+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 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
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50097886 ((1-Hydroxy-1-phosphono-octyl)-phosphonic acid | 1-...) Show SMILES CCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H20O7P2/c1-2-3-4-5-6-7-8(9,16(10,11)12)17(13,14)15/h9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.57E+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
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50097886 ((1-Hydroxy-1-phosphono-octyl)-phosphonic acid | 1-...) Show SMILES CCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H20O7P2/c1-2-3-4-5-6-7-8(9,16(10,11)12)17(13,14)15/h9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Buenos Aires Curated by ChEMBL					Assay Description Binding affinity of the compound towards T. cruzi farnesyl pyrophosphate synthase (TcFPPS)				Bioorg Med Chem Lett 13: 3231-5 (2003) BindingDB Entry DOI: 10.7270/Q2ZK5G2R
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50097886 ((1-Hydroxy-1-phosphono-octyl)-phosphonic acid | 1-...) Show SMILES CCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H20O7P2/c1-2-3-4-5-6-7-8(9,16(10,11)12)17(13,14)15/h9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+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 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
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM50097886 ((1-Hydroxy-1-phosphono-octyl)-phosphonic acid | 1-...) Show SMILES CCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H20O7P2/c1-2-3-4-5-6-7-8(9,16(10,11)12)17(13,14)15/h9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.30E+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 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))	BDBM50097886 ((1-Hydroxy-1-phosphono-octyl)-phosphonic acid | 1-...) Show SMILES CCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H20O7P2/c1-2-3-4-5-6-7-8(9,16(10,11)12)17(13,14)15/h9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+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 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