BDBM116254 US10035794, Example 31::US10683287, Example 31::US8637508, 31

SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F

InChI Key InChIKey=DRKAFGKWERJHKK-DLBZAZTESA-N

Data  11 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 11 hits for monomerid = 116254   

TargetBeta-secretase 1(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM116254(US10035794, Example 31 | US10683287, Example 31 | ...)
Affinity DataIC50:  7nMpH: 4.5 T: 2°CAssay Description:Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM116254(US10035794, Example 31 | US10683287, Example 31 | ...)
Affinity DataIC50:  1nMpH: 4.5 T: 2°CAssay Description:Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM116254(US10035794, Example 31 | US10683287, Example 31 | ...)
Affinity DataIC50:  7nMpH: 4.5 T: 2°CAssay Description:Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 2(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM116254(US10035794, Example 31 | US10683287, Example 31 | ...)
Affinity DataIC50:  1nMpH: 4.5 T: 2°CAssay Description:Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM116254(US10035794, Example 31 | US10683287, Example 31 | ...)
Affinity DataIC50:  10nMAssay Description:Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAmyloid-beta precursor protein(Homo sapiens (Human))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM116254(US10035794, Example 31 | US10683287, Example 31 | ...)
Affinity DataIC50:  10nMAssay Description:Inhibition of wild type APP751 (unknown origin) expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM116254(US10035794, Example 31 | US10683287, Example 31 | ...)
Affinity DataIC50:  1nMAssay Description:Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBeta-secretase 1(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM116254(US10035794, Example 31 | US10683287, Example 31 | ...)
Affinity DataIC50:  7nMAssay Description:Inhibition of human recombinant BACE1 catalytic domain using FRET substrate with BACE-cleavable sequenceMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM116254(US10035794, Example 31 | US10683287, Example 31 | ...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human recombinant BACE2 catalytic domain using FRET substrate with BACE-cleavable sequenceMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM116254(US10035794, Example 31 | US10683287, Example 31 | ...)
Affinity DataIC50:  2.17E+5nMAssay Description:Inhibition of human Cathepsin D using Mca-GKPILFFRLK(DNP)D-R-NH2 as a substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM116254(US10035794, Example 31 | US10683287, Example 31 | ...)
Affinity DataIC50:  7nMAssay Description:Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...More data for this Ligand-Target Pair
In DepthDetails US Patent