BDBM50533755 CHEMBL4444341

SMILES C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F

InChI Key InChIKey=AHFBBIPUKVCJEP-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50533755   

TargetCytochrome P450 2C9(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50533755(CHEMBL4444341)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human CYP2C9 preincubated for 10 mins followed by addition of MFC as substrate measured after 45 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50533755(CHEMBL4444341)
Affinity DataIC50: 310nMAssay Description:Inhibition of BACE1 in human H4 cells expressing swedish mutant APP751 assessed as reduction in amyloid beta level measured after 19 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50533755(CHEMBL4444341)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human CYP1A2 preincubated for 10 mins followed by addition of CEC as substrate measured after 45 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50533755(CHEMBL4444341)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human CYP2D6 preincubated for 10 mins followed by addition of AMMC as substrate measured after 45 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50533755(CHEMBL4444341)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human CYP3A4 preincubated for 10 mins followed by addition of BFC as substrate measured after 45 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50533755(CHEMBL4444341)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of recombinant human CYP2C19 preincubated for 10 mins followed by addition of CEC as substrate measured after 45 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed