BDBM28927 (2R)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butane-2-sulfonamido::Begacestat analogue, 16
SMILES: OC[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=PSXOKXJMVRSARX-BYPYZUCNSA-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 |
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Gamma-Secretase (Homo sapiens (Human)) | BDBM28927 ((2R)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a |
Wyeth Research | Assay Description A Chinese Hamster Ovary cell line stably expressing human beta-APP were aliquoted into a 96-well plate, and after attachment the medium was replaced ... | J Med Chem 51: 7348-51 (2008) Article DOI: 10.1021/jm801252w BindingDB Entry DOI: 10.7270/Q2BC3WW2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM28927 ((2R)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL | Assay Description Inhibition of gamma-secretase (unknown origin) assessed as reduction in amyloid beta (1 to 42) production | Eur J Med Chem 148: 436-452 (2018) Article DOI: 10.1016/j.ejmech.2018.02.035 BindingDB Entry DOI: 10.7270/Q2G73HCN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM28927 ((2R)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL | Assay Description Inhibition of gamma-secretase (unknown origin) assessed as reduction in amyloid beta (1 to 42) production by cell based assay | Eur J Med Chem 148: 436-452 (2018) Article DOI: 10.1016/j.ejmech.2018.02.035 BindingDB Entry DOI: 10.7270/Q2G73HCN | |||||||||||
More data for this Ligand-Target Pair |