BDBM50327500 2-(5-(1H-indazol-5-yl)pyridin-3-yl)-1-fluoroethane-1,1-diyldiphosphonic acid::CHEMBL1258421
SMILES: OP(O)(=O)C(F)(Cc1cncc(c1)-c1ccc2[nH]ncc2c1)P(O)(O)=O
InChI Key: InChIKey=MLYBZHHGRJJXOT-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM50327500 (2-(5-(1H-indazol-5-yl)pyridin-3-yl)-1-fluoroethane...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [14C]IPP and GPP as substrate incubated for 10 m... | J Med Chem 55: 3201-15 (2012) Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM50327500 (2-(5-(1H-indazol-5-yl)pyridin-3-yl)-1-fluoroethane...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University Curated by ChEMBL | Assay Description Inhibition of N-terminal His-tagged human FPPS expressed in Escherichia coli | Bioorg Med Chem Lett 20: 5781-6 (2010) Article DOI: 10.1016/j.bmcl.2010.07.133 BindingDB Entry DOI: 10.7270/Q21G0MGG | |||||||||||
More data for this Ligand-Target Pair |