BDBM50501808 CHEMBL4465534

SMILES C[C@]1(C2(CCS(=O)(=O)CC2)CSC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF

InChI Key InChIKey=DZTJZUAOGBUBNK-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 = 50501808   

TargetBeta-secretase 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50501808(CHEMBL4465534)
Affinity DataIC50: 2.09E+3nMAssay Description:Inhibition of BACE2 (unknown origin) using Mca-APP Swedish Lys-Met/Asn-Leu mutant-Dnp quencher as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50501808(CHEMBL4465534)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of BACE1 (1 to 454 residues) (unknown origin) using Mca-APP Swedish Lys-Met/Asn-Leu mutant-Dnp quencher as substrate by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50501808(CHEMBL4465534)
Affinity DataIC50: 13nMAssay Description:Inhibition of BACE1 in human SKNBE2 cells expressing APP695 assessed as reduction in Abeta42 level measured after 18 hrs by sandwich ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50501808(CHEMBL4465534)
Affinity DataIC50: 3.80nMAssay 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)
TBA

Curated by ChEMBL
LigandPNGBDBM50501808(CHEMBL4465534)
Affinity DataIC50: 2.10E+3nMAssay 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)
TBA

Curated by ChEMBL
LigandPNGBDBM50501808(CHEMBL4465534)
Affinity DataKi:  1.90nMAssay Description:Displacement of [3H]-JNJ-962 from BACE1 (unknown origin) expressed in HEK293 cell membranes by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50501808(CHEMBL4465534)
Affinity DataKi:  1.74E+3nMAssay Description:Displacement of [3H]-JNJ-962 from BACE2 (unknown origin) expressed in HEK293 cell membranes by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)