BDBM50579805 CHEMBL5075689

SMILES C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OCCO4)F

InChI Key InChIKey=LQVIUEMPEFSVOL-UHFFFAOYSA-N

Data  2 KI  5 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50579805   

TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50579805(CHEMBL5075689)
Affinity DataIC50: 0.930nMAssay Description:Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys-Met/Asn-Leu mutant-derived peptide as substrate by FRET assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50579805(CHEMBL5075689)
Affinity DataIC50: 479nMAssay Description:Inhibition of BACE2 (unknown origin) using APP harboring Swedish Lys-Met/Asn-Leu mutant-derived peptide as substrate incubated for 2 hrs by FRET assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50579805(CHEMBL5075689)
Affinity DataIC50: 0.930nMAssay Description:Inhibition of BACE1 (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50579805(CHEMBL5075689)
Affinity DataIC50: 479nMAssay Description:Inhibition of BACE2 (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50579805(CHEMBL5075689)
Affinity DataIC50: 2.30nMAssay Description:Inhibition of BACE1 in human SKNBE2 cells expressing wildtype APP assessed as reduction in amyloid beta 42 level incubated for 18 hrs by sandwich Alp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50579805(CHEMBL5075689)
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H] JNJ-962 from BACE1 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50579805(CHEMBL5075689)
Affinity DataKi:  9.60nMAssay Description:Displacement of [3H] JNJ-962 from BACE2 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)