BDBM25269 (1-hydroxy-1-phosphonodecyl)phosphonic acid::CHEMBL54004::bisphosphonate, 23

SMILES: CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=NSCPCMXKWUFFNL-UHFFFAOYSA-N

Data: 1 KI  9 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 10 hits for monomerid = 25269   

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))	BDBM25269 ((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...) Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	230	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				3D Structure (docked)
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM25269 ((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...) Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)	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	2.40E+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				3D Structure (docked)
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM25269 ((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...) Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	720	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
Hexokinase (Trypanosoma cruzi)	BDBM25269 ((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...) Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Venezolano de Investigaciones Cient£ficas Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi hexokinase				J Biol Chem 282: 12377-87 (2007) Article DOI: 10.1074/jbc.M607286200 BindingDB Entry DOI: 10.7270/Q2FT8MXH
					More data for this Ligand-Target Pair
Hexokinase (Trypanosoma cruzi)	BDBM25269 ((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...) Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.75E+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 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 pyrophosphate synthase (Plasmodium falciparum (isolate 3D7))	BDBM25269 ((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...) Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.37E+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 FPPS in Leishmania major				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
Vacuolar-type proton translocating pyrophosphatase 1 (Trypanosoma brucei)	BDBM25269 ((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...) Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.57E+5	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))	BDBM25269 ((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...) Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)	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	2.34E+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				3D Structure (docked)
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM25269 ((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...) Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	7.0	37
National Taiwan University					Assay Description The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...				J Med Chem 51: 5594-607 (2008) Article DOI: 10.1021/jm800325y BindingDB Entry DOI: 10.7270/Q2028PVT
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Plasmodium falciparum (isolate 3D7))	BDBM25269 ((1-hydroxy-1-phosphonodecyl)phosphonic acid | CHEM...) Show SMILES CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.37E+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