BDBM50510782 CHEMBL4454250::US20160046618, Example 20

SMILES [H][C@]12C[C@@]1([H])[C@](CF)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F

InChI Key InChIKey=YFUDKRKSUBTLCT-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 = 50510782   

TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510782(CHEMBL4454250 | US20160046618, Example 20)
Affinity DataIC50: 0.640nMAssay Description:Inhibition of BACE1 (unknown origin) assessed as reduction in amyloidbeta 40 level after 24 hrs by cell-based sandwich ELISAMore 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
LigandPNGBDBM50510782(CHEMBL4454250 | US20160046618, Example 20)
Affinity DataIC50: 0.600nMAssay 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 2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510782(CHEMBL4454250 | US20160046618, Example 20)
Affinity DataIC50: 39nMAssay 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
LigandPNGBDBM50510782(CHEMBL4454250 | US20160046618, Example 20)
Affinity DataIC50: 0.600nMAssay 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)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510782(CHEMBL4454250 | US20160046618, Example 20)
Affinity DataIC50: 39.4nMAssay 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
LigandPNGBDBM50510782(CHEMBL4454250 | US20160046618, Example 20)
Affinity DataIC50: 4.71E+4nMAssay 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