BDBM50098381 (3-Amino-1-hydroxy-1-phosphono-butyl)-phosphonic acid::3-amino-1-hydroxybutane-1,1-diyldiphosphonic acid::3-aminobutane-1-hydroxy-1,1-bisphosphonate::CHEMBL55358
SMILES: CC(N)CC(O)(P(O)(O)=O)P(O)(O)=O
InChI Key: InChIKey=FNPLDQVMNZFNEG-UHFFFAOYSA-N
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)) | BDBM50098381 ((3-Amino-1-hydroxy-1-phosphono-butyl)-phosphonic a...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 100 | 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)) | BDBM50098381 ((3-Amino-1-hydroxy-1-phosphono-butyl)-phosphonic a...) | 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 | 1.05E+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) | ||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM50098381 ((3-Amino-1-hydroxy-1-phosphono-butyl)-phosphonic a...) | 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 | 1.00E+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)) | BDBM50098381 ((3-Amino-1-hydroxy-1-phosphono-butyl)-phosphonic a...) | 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 | 3.30E+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 |