BDBM36500 2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid, 1::CID205058
SMILES: OC(=O)Cc1csc2ccc(Cl)cc12
InChI Key: InChIKey=QQKKTOPRRGBBCT-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)) | BDBM36500 (2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid, 1 | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents | MMDB PDB Article PubMed | n/a | n/a | >5.00E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Chimie des Substances Naturelles Curated by ChEMBL | Assay Description Inhibition of FPPS (unknown origin) | Bioorg Med Chem 22: 4474-89 (2014) Article DOI: 10.1016/j.bmc.2014.04.019 BindingDB Entry DOI: 10.7270/Q29K4CW0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM36500 (2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid, 1 | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents | MMDB PDB Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Novartis Institutes for Biomedical Research | Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS. | Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |