BDBM50583315 CHEMBL5074068

SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N

InChI Key InChIKey=ITBUOSMBIYYJMH-UHFFFAOYSA-N

Data  12 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 12 hits for monomerid = 50583315   

TargetCytochrome P450 2D6(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50583315(CHEMBL5074068)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2D6 by fluorescence plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCathepsin D(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50583315(CHEMBL5074068)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Cathepsin D (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50583315(CHEMBL5074068)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of BACE1 (1 to 454 residues) (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:
3/6/2023
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50583315(CHEMBL5074068)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of hERG expressed in HEK293 cells at -80 mV holding potential by automated patch-clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetAmyloid-beta precursor protein(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50583315(CHEMBL5074068)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of human amyloid beta (1 to 42) in human SKNBE2 cells expressing wild-type amyloid precursor protein hAPP695 incubated for 18 hrs by sandw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50583315(CHEMBL5074068)
Affinity DataIC50: 12nMAssay Description:Inhibition of BACE2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50583315(CHEMBL5074068)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP3A4 using testosterone as substrate by fluorescence plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50583315(CHEMBL5074068)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP3A4 using midazolam as substrate by fluorescence plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50583315(CHEMBL5074068)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP1A2 by fluorescence plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50583315(CHEMBL5074068)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2C8 by fluorescence plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50583315(CHEMBL5074068)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2C9 by fluorescence plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50583315(CHEMBL5074068)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human CYP2C19 by fluorescence plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed