BDBM50540171 CHEMBL4643727

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

InChI Key InChIKey=UKXLLHCQBVONES-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50540171   

TargetBeta-secretase 1(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50540171(CHEMBL4643727)
Affinity DataIC50: 28nMAssay 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
LigandPNGBDBM50540171(CHEMBL4643727)
Affinity DataIC50: 22nMAssay 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
LigandPNGBDBM50540171(CHEMBL4643727)
Affinity DataIC50: 9.00E+4nMAssay 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
LigandPNGBDBM50540171(CHEMBL4643727)
Affinity DataIC50: 18nMAssay Description:Inhibition of BACE1 (unknown origin) by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50540171(CHEMBL4643727)
Affinity DataIC50: 28nMAssay 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
LigandPNGBDBM50540171(CHEMBL4643727)
Affinity DataIC50: 1.00E+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