BDBM50510765 CHEMBL4440849::US11021493, Example 112

SMILES CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F

InChI Key InChIKey=WIQPRGHWWVQNAA-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 50510765   

TargetCathepsin D(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510765(CHEMBL4440849 | US11021493, Example 112)
Affinity DataIC50: 3.58E+4nMAssay Description:Inhibition of recombinant Cathepsin D (unknown origin) expressed in CHO cells preincubated for 1 hr followed by substrate addition and measured after...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510765(CHEMBL4440849 | US11021493, Example 112)
Affinity DataIC50: 3nMAssay Description:Inhibition of C-terminal His6-tagged human BACE1 expressed in mammalian expression system preincubated for 1 hr followed by substrate addition and me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510765(CHEMBL4440849 | US11021493, Example 112)
Affinity DataIC50: 8nMAssay Description:Inhibition of BACE1 (unknown origin) assessed as reduction in amyloidbeta 40 level after 24 hrs by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510765(CHEMBL4440849 | US11021493, Example 112)
Affinity DataIC50: 52nMAssay Description:Inhibition of C-terminal His6-tagged human BACE2 expressed in mammalian expression system preincubated for 1 hr followed by substrate addition and me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510765(CHEMBL4440849 | US11021493, Example 112)
Affinity DataIC50: 3nMAssay Description:The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2021
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510765(CHEMBL4440849 | US11021493, Example 112)
Affinity DataIC50: 8nMAssay Description:The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2021
Entry Details
Go to US Patent

TargetBeta-secretase 2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510765(CHEMBL4440849 | US11021493, Example 112)
Affinity DataIC50: 52nMAssay Description:The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2021
Entry Details
Go to US Patent

TargetCathepsin D(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510765(CHEMBL4440849 | US11021493, Example 112)
Affinity DataIC50: 3.58E+4nMAssay Description:Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2021
Entry Details
Go to US Patent