BDBM50457586 CHEMBL4213486

SMILES C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N

InChI Key InChIKey=ORHZQSYKGHHDOP-UHFFFAOYSA-N

Data  11 IC50

PDB links: 1 PDB ID matches this monomer.

  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 11 hits for monomerid = 50457586   

TargetCytochrome P450 1A2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50457586(CHEMBL4213486)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using ethoxyresorufin as substrate after 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50457586(CHEMBL4213486)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using terfenadine as substrate after 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50457586(CHEMBL4213486)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
LigandPNGBDBM50457586(CHEMBL4213486)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by manual patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50457586(CHEMBL4213486)
Affinity DataIC50: 86nMAssay Description:Inhibition of BACE2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50457586(CHEMBL4213486)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50457586(CHEMBL4213486)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells transfected with human wild type beta-APP assessed as reduction in amyloid beta (1 to 40) levels after 24 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50457586(CHEMBL4213486)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCathepsin D(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50457586(CHEMBL4213486)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of cathepsin D (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50457586(CHEMBL4213486)
Affinity DataIC50: 59nMAssay Description:Inhibition of human recombinant BACE1 (43 to 545 residues) expressed in Escherichia coli BL21(DE3) using APP Swedish Lys-Met/Asn-Leu mutant as substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50457586(CHEMBL4213486)
Affinity DataIC50: 59nMAssay Description:Inhibition of BACE1 (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)