BDBM335457 4-((3-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl-1,1- dioxido-3,6-dihydro-2H-1,4- thiazin-3-yl)-4- fluorophenyl)amino)pyrido[3,2- d]pyrimidine-7-carbonitrile::US9732088, Example 16

SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ncnc3cc(cnc23)C#N)ccc1F

InChI Key InChIKey=BLPDQFTZIQGBQQ-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 335457   

TargetBeta-secretase 2(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM335457(4-((3-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl...)
Affinity DataKi:  1.40nMAssay Description:The compounds of the invention were determined to be potent inhibitors of BACE-2 using the following assay. Inhibitor IC50s at purified human autoBAC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
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TargetBeta-secretase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM335457(4-((3-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl...)
Affinity DataKi:  2.20nMAssay Description:The compounds of the invention were determined to be potent inhibitors of BACE-1 using the following assay.The following reagents were used in this a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent

TargetCathepsin D(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM335457(4-((3-((3R,6S)-5-amino-6- cyclopropyl-3,6-dimethyl...)
Affinity DataKi:  2.45E+3nMAssay Description:The following reagents were used in this assay: Na+-Acetate pH 5.0; 1% Brij-35; Dimethyl Sulfoxide (DMSO); Purified human Cathepsin-D (>95% pure); As...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2019
Entry Details
Go to US Patent