BDBM50457586 CHEMBL4213486

SMILES C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key InChIKey=ORHZQSYKGHHDOP-IBGZPJMESA-N

Data  10 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50457586   

TargetCytochrome P450 1A2(Homo sapiens (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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (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
Ligand InfoPC cidPC sidPDB
TargetCytochrome P450 2C19(Homo sapiens (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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (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
Ligand InfoPC cidPC sidPDB
TargetCytochrome P450 2D6(Homo sapiens (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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (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
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50457586(CHEMBL4213486)
Affinity DataIC50:  86nMAssay Description:Inhibition of BACE2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed