BDBM50031613 CHEMBL3359763

SMILES CC1(COC1)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F

InChI Key InChIKey=GKKFBOARESVMBW-VWLOTQADSA-N

Data  1 KI  6 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50031613   

LigandPNGBDBM50031613(CHEMBL3359763)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin E(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50031613(CHEMBL3359763)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of cathepsin E (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetRenin(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50031613(CHEMBL3359763)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of renin (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBeta-secretase 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50031613(CHEMBL3359763)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of BACE1 (unknown origin) incubated for 60 mins prior to substrate addition measured after 60 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetBeta-secretase 2(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50031613(CHEMBL3359763)
Affinity DataIC50:  5nMAssay Description:Inhibition of BACE2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin D(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50031613(CHEMBL3359763)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of cathepsin D (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBeta-secretase 1(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50031613(CHEMBL3359763)
Affinity DataIC50:  4.40nMAssay Description:Inhibition of BACE1 in HEK293 cells assessed as Abeta40 level after overnight incubation by sandwich ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)