BDBM50322916 3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-5-(N-phenylmethylsulfonamido)benzamide::CHEMBL1210434

SMILES CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)C1CCCC1

InChI Key InChIKey=HGSCTPUCDDAAQZ-UHFFFAOYSA-N

Data  11 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50322916   

TargetBeta-secretase 1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322916(3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(...)
Affinity DataIC50: 4nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322916(3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(...)
Affinity DataIC50: 42nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322916(3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(...)
Affinity DataIC50: 205nMAssay Description:Inhibition of BACE1 assessed as inhibition of amyloid beta-42 production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322916(3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(...)
Affinity DataIC50: 275nMAssay Description:Inhibition of BACE1 assessed as inhibition of amyloid beta-40 production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322916(3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(...)
Affinity DataIC50: 300nMAssay Description:Inhibition of CYP3A4 using diethoxyfluorescein substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCathepsin D(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322916(3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(...)
Affinity DataIC50: 430nMAssay Description:Inhibition of Cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322916(3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(...)
Affinity DataIC50: 600nMAssay Description:Inhibition of CYP3A4 using phenyl-piperazinyl-methyl-benzyl-resofurin substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322916(3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(...)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322916(3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(...)
Affinity DataIC50: 6.90E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322916(3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(...)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50322916(3-cyclopentyl-N-((2S,3R)-3-hydroxy-1-phenyl-4-(3-(...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed