BDBM50452874 CHEMBL4217620

SMILES CO[C@H]1CC[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1

InChI Key InChIKey=WKDNQONLGXOZRG-DFCKQENNSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50452874   

TargetBeta-secretase 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50452874(CHEMBL4217620)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of human BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50452874(CHEMBL4217620)
Affinity DataIC50:  0.900nMAssay Description:Inhibition of human BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50452874(CHEMBL4217620)
Affinity DataIC50:  0.600nMAssay Description:Binding affinity to human recombinant BACE-1 (1 to 460 residue) using CEVNLDAEFK as substrate preincubated for 10 mins followed by substrate addition...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50452874(CHEMBL4217620)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of recombinant BACE-1 (unknown origin) using H-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly-NH2 peptide...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50452874(CHEMBL4217620)
Affinity DataIC50:  1.61E+4nMAssay Description:Inhibition of Cathepsin D (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed