BDBM50398264 CHEMBL2177913

SMILES NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F

InChI Key InChIKey=MRXBCEQZNKUUIP-DEOSSOPVSA-N

Data  2 KI  9 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 11 hits for monomerid = 50398264   

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

Curated by ChEMBL
LigandPNGBDBM50398264(CHEMBL2177913)
Affinity DataKi:  26nMAssay Description:Inhibition of human BACE1 (1 to 460 residues) preincubated for 10 mins followed by (Europium)CEVNLDAEFK(Qsy7) substrate addition measured after 6.5 h...More data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50398264(CHEMBL2177913)
Affinity DataKi:  370nMAssay Description:Inhibition of human recombinant BACE2 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50398264(CHEMBL2177913)
Affinity DataIC50:  35nMAssay Description:Inhibition of human recombinant BACE1 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after ...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50398264(CHEMBL2177913)
Affinity DataIC50:  17nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells assessed as inhibition of sAPPbeta release after 16 hrs by immunoassayMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50398264(CHEMBL2177913)
Affinity DataIC50:  17nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells assessed as inhibition of sAPPbeta release after 16 hrs by immunoassayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50398264(CHEMBL2177913)
Affinity DataIC50:  4.80E+3nMAssay Description:Inhibition of human ERG expressed in CHO cells by IonWorks assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50398264(CHEMBL2177913)
Affinity DataIC50:  43nMAssay Description:Inhibition of human recombinant BACE1 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after ...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Mus musculus (Mouse))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50398264(CHEMBL2177913)
Affinity DataIC50:  51nMAssay Description:Inhibition of BACE1-mediated amyloid beta 40 release in C57/BL6 mouse primary cortical neurons after overnight incubation by ELISAMore data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50398264(CHEMBL2177913)
Affinity DataIC50:  0.900nMAssay 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))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50398264(CHEMBL2177913)
Affinity DataIC50:  0.600nMAssay 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
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50398264(CHEMBL2177913)
Affinity DataIC50:  7.20E+3nMAssay Description:Inhibition of human ERG expressed in CHO cells by IonWorks assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed