BDBM50510772 CHEMBL4450749

SMILES [H][C@@]12CCOc3ccc(NC(=O)c4ncc(Cl)cc4C)cc3[C@@]1(C)N=C(N)C(C)(C)S2(=O)=O

InChI Key InChIKey=GPTXVAMKJRVWAD-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50510772   

TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510772(CHEMBL4450749)
Affinity DataIC50: 2nMAssay Description:Inhibition of BACE1 (unknown origin) preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRET assayMore 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
LigandPNGBDBM50510772(CHEMBL4450749)
Affinity DataIC50: 6nMAssay 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
TargetCathepsin D(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510772(CHEMBL4450749)
Affinity DataIC50: 1.00E+5nMAssay 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