BDBM50458169 AVAGACESTAT::Avagacestat::BMS 708163::BMS-708163::BMS-708163-01::BMS-70816301
SMILES: NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)-c1ncon1)S(=O)(=O)c1ccc(Cl)cc1
InChI Key: InChIKey=XEAOPVUAMONVLA-QGZVFWFLSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Presenilin-1 (Homo sapiens (Human)) | BDBM50458169 (AVAGACESTAT | Avagacestat | BMS 708163 | BMS-70816...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 0.270 | 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 in human H4-8Sw cells assessed as reduction in amyloid beta (1 to 42) formation | 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 | 3D Structure (crystal) | ||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM50458169 (AVAGACESTAT | Avagacestat | BMS 708163 | BMS-70816...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 0.225 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant | J Med Chem 55: 3414-24 (2012) Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM50458169 (AVAGACESTAT | Avagacestat | BMS 708163 | BMS-70816...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using Notch as substrate after 2 hrs by ELISA | Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Presenilin-1 (Homo sapiens (Human)) | BDBM50458169 (AVAGACESTAT | Avagacestat | BMS 708163 | BMS-70816...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA | Bioorg Med Chem Lett 23: 996-1000 (2013) Article DOI: 10.1016/j.bmcl.2012.12.039 BindingDB Entry DOI: 10.7270/Q2Q81H1X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |