BDBM12579 (1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic acid::Bisphosphonate 4::CHEMBL56556
SMILES: OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O
InChI Key: InChIKey=DNTYYKAZXNGNBX-UHFFFAOYSA-N
PDB links: 6 PDB IDs contain this monomer as substructures. 6 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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)) | BDBM12579 ((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 303 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | J Med Chem 51: 2187-95 (2008) Article DOI: 10.1021/jm7015733 BindingDB Entry DOI: 10.7270/Q2W95B18 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM12579 ((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 368 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | J Med Chem 51: 2187-95 (2008) Article DOI: 10.1021/jm7015733 BindingDB Entry DOI: 10.7270/Q2W95B18 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM12579 ((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.60E+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 diphosphate synthase (Homo sapiens (Human)) | BDBM12579 ((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...) | 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+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 | |||||||||||||
Inositol-1(or 4)-monophosphatase 1 (Bos taurus) | BDBM12579 ((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Concentration required for 50% inhibition of Inositol monophosphatase | Bioorg Med Chem Lett 2: 627-630 (1992) Article DOI: 10.1016/S0960-894X(01)81212-9 BindingDB Entry DOI: 10.7270/Q2QF8SSG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM12579 ((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...) | 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+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 | |||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM12579 ((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...) | 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 | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | J Med Chem 51: 2187-95 (2008) Article DOI: 10.1021/jm7015733 BindingDB Entry DOI: 10.7270/Q2W95B18 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM12579 ((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...) | 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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | J Med Chem 51: 2187-95 (2008) Article DOI: 10.1021/jm7015733 BindingDB Entry DOI: 10.7270/Q2W95B18 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human)) | BDBM12579 ((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...) | 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 | 2.20E+5 | 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 |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
Farnesyl Diphosphate Synthase (FPPS) (Trypanosoma brucei) | BDBM12579 ((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...) | GoogleScholar PDB | PC cid PC sid | -7.45 | 2.53 | -9.96 | 5.50 | 7.40 | 26.9 | |
University of Illinois at Urbana-Champaign | J Am Chem Soc 128: 3524-5 (2006) | |||||||||
Farnesyl Diphosphate Synthase (FPPS) (Trypanosoma brucei) | BDBM12579 ((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...) | GoogleScholar PDB | PC cid PC sid | -7.47 | 2.77 | -10.2 | 5.51 | 8.5 | 26.9 | |
University of Illinois at Urbana-Champaign | J Am Chem Soc 128: 3524-5 (2006) |