BDBM50579809 CHEMBL5082356

SMILES C[C@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc(ncn3)OC)S(=O)(=O)C

InChI Key InChIKey=XXQXCRMADCRFEB-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50579809   

TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50579809(CHEMBL5082356)
Affinity DataIC50: 9.5nMAssay Description:Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys-Met/Asn-Leu mutant-derived peptide as substrate by FRET assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50579809(CHEMBL5082356)
Affinity DataIC50: 189nMAssay Description:Inhibition of BACE2 (unknown origin) using APP harboring Swedish Lys-Met/Asn-Leu mutant-derived peptide as substrate incubated for 2 hrs by FRET assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50579809(CHEMBL5082356)
Affinity DataIC50: 15nMAssay Description:Inhibition of BACE1 in human SNKBE2 cells expressing wild type APP695 assessed as reduction in amyloid beta 42 secretion incubated for 18 hrs by sand...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed