BDBM50338903 CHEMBL1684849::Ethyl 1-{4-[{4-chloro-2-[(2-fluorophenyl)(hydroxy)-methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}-piperidine-4-carboxylate
SMILES: CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1F
InChI Key: InChIKey=KEKOABMGTXSUSR-UHFFFAOYSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Squalene synthase (Homo sapiens (Human)) | BDBM50338903![]() (CHEMBL1684849 | Ethyl 1-{4-[{4-chloro-2-[(2-fluoro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd Curated by ChEMBL | Assay Description Inhibition of squalene synthase | Bioorg Med Chem 19: 1930-49 (2011) Article DOI: 10.1016/j.bmc.2011.01.065 BindingDB Entry DOI: 10.7270/Q2ZG6SJ3 | |||||||||||
More data for this Ligand-Target Pair |