BDBM336604 US9744173, Comparator 1

SMILES C[C@H]1C[C@H]2CSC(N)N[C@]2(CO1)c1ncc(NC(=O)c2ccc(OC(F)F)cn2)s1

InChI Key InChIKey=QQVTVVAYLHDHSA-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 336604   

TargetBeta-secretase 1(Human)
Pfizer

US Patent
LigandPNGBDBM336604(US9744173, Comparator 1)
Affinity DataIC50: 100nMAssay Description:Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Di...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2019
Entry Details
US Patent

TargetCytochrome P450 2D6(Human)
Pfizer

US Patent
LigandPNGBDBM336604(US9744173, Comparator 1)
Affinity DataIC50: 1.40E+4nMAssay Description:CYP2D6 inhibition was obtained by measuring inhibition of 5 uM Dextromethorphan in pooled HLM (HL-MIX-102).More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2019
Entry Details
US Patent