BDBM50061580 CHEMBL3394057

SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F

InChI Key InChIKey=LEFDLEYZSDTVMO-UHFFFAOYSA-N

Data  1 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

  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 = 50061580   

TargetCathepsin D(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50061580(CHEMBL3394057)
Affinity DataIC50: 660nMAssay Description:Inhibition of cathepsin D (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-secretase 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50061580(CHEMBL3394057)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of BACE1 (unknown origin) by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50061580(CHEMBL3394057)
Affinity DataIC50: 21nMAssay Description:Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50061580(CHEMBL3394057)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]dofetilide from human ERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed