BDBM50540172 CHEMBL4637426

SMILES C[C@@H]1C[C@H]1COC(C)(C)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5

InChI Key InChIKey=BFGQEVKVRRYAQC-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50540172   

TargetBeta-secretase 1(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50540172(CHEMBL4637426)
Affinity DataIC50: 10nMAssay Description:Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 2(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50540172(CHEMBL4637426)
Affinity DataIC50: 5.30nMAssay Description:Inhibition of human BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCathepsin D(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50540172(CHEMBL4637426)
Affinity DataIC50: 1.60E+5nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50540172(CHEMBL4637426)
Affinity DataIC50: 10nMAssay Description:Inhibition of recombinant human BACE1 using (MCA)-S-E-V-N-L-D-A-E-F-R-K(dinitrophenol)-R-R-R-R-NH2 as substrate incubated for 8 hrs by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin D(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50540172(CHEMBL4637426)
Affinity DataIC50: 3.00E+5nMAssay Description:Inhibition of human Cathepsin D by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed