BDBM50398767 CHEMBL2180037

SMILES CC#Cc1cncc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CC1

InChI Key InChIKey=TWHSRVVFCICXII-UHFFFAOYSA-N

Data  4 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 = 50398767   

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

Curated by ChEMBL
LigandPNGBDBM50398767(CHEMBL2180037)
Affinity DataIC50:  190nMAssay Description:Inhibition of BACE1-mediated sAPPbeta release in human SH-SY5Y cells after 16 hrs by ELISAMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50398767(CHEMBL2180037)
Affinity DataIC50:  1.44E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by IonWorks assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50398767(CHEMBL2180037)
Affinity DataIC50:  30nMAssay Description:Inhibition of human BACE2 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by T...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50398767(CHEMBL2180037)
Affinity DataIC50:  79nMAssay Description:Inhibition of human BACE1 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by T...More data for this Ligand-Target Pair