BDBM50510984 CHEMBL4456778::US20160046618, Example 74

SMILES [H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1F

InChI Key InChIKey=XMBDVYLJVOJVAJ-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50510984   

TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510984(CHEMBL4456778 | US20160046618, Example 74)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of BACE1 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510984(CHEMBL4456778 | US20160046618, Example 74)
Affinity DataIC50: 40nMAssay Description:Inhibition of BACE2 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510984(CHEMBL4456778 | US20160046618, Example 74)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of BACE in HEK293 cells harboring APP Swedish mutant assessed as reduction in amyloid beta 40 level measured after overnight incubation by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510984(CHEMBL4456778 | US20160046618, Example 74)
Affinity DataIC50: 0.950nMAssay Description:The cDNAs for both human recombinant BACE1 and BACE2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2025
Entry Details
Go to US Patent

TargetBeta-secretase 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50510984(CHEMBL4456778 | US20160046618, Example 74)
Affinity DataIC50: 47.3nMAssay Description:The cDNAs for both human recombinant BACE1 and BACE2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2025
Entry Details
Go to US Patent

TargetCathepsin D(Human)
Amgen

US Patent
LigandPNGBDBM50510984(CHEMBL4456778 | US20160046618, Example 74)
Affinity DataIC50: 9.32E+5nMAssay Description:Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2025
Entry Details
Go to US Patent