BDBM41542 US8865911, 122

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

InChI Key InChIKey=MJBZMUZAEXQVAB-UHFFFAOYSA-N

Data  2 KI  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 4 hits for monomerid = 41542   

TargetBeta-secretase 1(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM41542(US8865911, 122)
Affinity DataKi:  26nMAssay Description:Inhibition of recombinant human BACE1 (1 to 460 residues) using CEVNLDAEFK as substrate preincubated for 10 mins followed by substrate addition measu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM41542(US8865911, 122)
Affinity DataKi:  372nMAssay Description:Inhibition of human BACE2 (1 to 473 residues) using CEVNLDAEFK as substrate preincubated for 10 mins followed by substrate addition measured after 6....More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM41542(US8865911, 122)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of BACE-1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM41542(US8865911, 122)
Affinity DataIC50:  25nMpH: 9.2Assay Description:The beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA 460) was clo...More data for this Ligand-Target Pair
In DepthDetails US Patent