BDBM25302 CHEMBL277580::bisphosphonate, 49::hydrogen [2-(dimethylsulfanylium)-1-hydroxy-1-phosphonoethyl]phosphonate
SMILES: C[S+](C)CC(O)(P(O)(O)=O)P(O)([O-])=O
InChI Key: InChIKey=JAYKFPQXXHDSSF-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)) | BDBM25302 (CHEMBL277580 | bisphosphonate, 49 | hydrogen [2-(d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents | PDB 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 Inhibition of human FPPS | J Med Chem 50: 6067-79 (2007) Article DOI: 10.1021/jm700991k BindingDB Entry DOI: 10.7270/Q2CZ36VH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human)) | BDBM25302 (CHEMBL277580 | bisphosphonate, 49 | hydrogen [2-(d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 6.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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 |