BDBM50510803 CHEMBL4567636

SMILES [H][C@@]12C[C@H](COC)OC[C@@]1(N=C(N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F

InChI Key InChIKey=IKXTYERQAYAFRG-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50510803   

TargetBeta-secretase 1(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510803(CHEMBL4567636)
Affinity DataKi:  1.90nMAssay Description:Inhibition of human BACE1 catalytic domain preincubated for 30 mins followed by QSY7-EISEVNLDAEFC-Europium-amide substrate addition and measured afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM50510803(CHEMBL4567636)
Affinity DataKi:  3.40nMAssay Description:Inhibition of human BACE2 preincubated for 30 mins followed by QSY7- EISEVNLDAEFC-Eu-amide substrate addition and measured after 1.5 hrs by HTRF assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed