BDBM372720 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile::US10246429, Example 124

SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F

InChI Key InChIKey=VZHFJCNPAIRJSA-UHFFFAOYSA-N

Data  10 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 10 hits for monomerid = 372720   

TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM372720(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpho...)
Affinity DataIC50: 1.73nMAssay Description:The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetBeta-secretase 2(Human)
Amgen

US Patent
LigandPNGBDBM372720(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpho...)
Affinity DataIC50: 108nMMore data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetCathepsin D(Human)
Amgen

US Patent
LigandPNGBDBM372720(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpho...)
Affinity DataIC50: 4.95E+5nMAssay Description:Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetCathepsin D(Human)
Amgen

US Patent
LigandPNGBDBM372720(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpho...)
Affinity DataIC50: 5.35E+5nMAssay Description:Inhibition of CatD (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM372720(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpho...)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of recombinant human BACE1 using fluorescence substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 2(Human)
Amgen

US Patent
LigandPNGBDBM372720(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpho...)
Affinity DataIC50: 5.80nMAssay Description:Inhibition of recombinant human BACE2 using fluorescence substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM372720(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpho...)
Affinity DataIC50: 2nMAssay Description:Inhibition of BACE1 in human HEK293 cells transfected with human wild type APP assessed as reduction in Abeta40 production incubated for overnight by...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCathepsin E(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM372720(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpho...)
Affinity DataIC50: 3.92E+5nMAssay Description:Inhibition of CatE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM372720(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpho...)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM372720(6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpho...)
Affinity DataIC50: 1.57E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed