BDBM171536 US9085576, 170::US9611261, Example 170

SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cncs3)cn2)ccc1F

InChI Key InChIKey=JLJYQQNXSQRJBC-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 171536   

TargetBeta-secretase 1(Human)
Amgen

US Patent
LigandPNGBDBM171536(US9085576, 170 | US9611261, Example 170)
Affinity DataIC50: 86.7nMAssay 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
US Patent

TargetCathepsin D(Human)
Amgen

US Patent
LigandPNGBDBM171536(US9085576, 170 | US9611261, Example 170)
Affinity DataIC50: 4.45E+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
US Patent