BDBM171498 US9085576, 132::US9611261, Example 132

SMILES Cc1cc(NC(=O)c2ncc(cc2C)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F

InChI Key InChIKey=IHAUPMSNDMWWEF-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 171498   

TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM171498(US9085576, 132 | US9611261, Example 132)
Affinity DataIC50: 21.4nMpH: 4.2Assay Description:The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2016
Entry Details
Go to US Patent

TargetCathepsin D(Human)
Amgen

US Patent
LigandPNGBDBM171498(US9085576, 132 | US9611261, Example 132)
Affinity DataIC50: 7.25E+5nMpH: 3.5Assay Description:Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/14/2016
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM171498(US9085576, 132 | US9611261, Example 132)
Affinity DataIC50: 21.4nMAssay Description:The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2019
Entry Details
Go to US Patent

TargetCathepsin D(Human)
Amgen

US Patent
LigandPNGBDBM171498(US9085576, 132 | US9611261, Example 132)
Affinity DataIC50: 7.25E+5nMAssay Description:Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2019
Entry Details
Go to US Patent