BDBM50012632 CHEMBL2333941

SMILES C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1

InChI Key InChIKey=MJQMRGWYPNIERM-HNNXBMFYSA-N

Data  21 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50012632   

TargetBeta-secretase 1(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL

LigandBDBM50012632(CHEMBL2333941)Copy SMILESCopy InChI

Affinity DataIC50:  239nMAssay Description:Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetBeta-secretase 2(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL

LigandBDBM50012632(CHEMBL2333941)Copy SMILESCopy InChI

Affinity DataIC50:  288nMAssay Description:Inhibition of human BACE2More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCathepsin D(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL

LigandBDBM50012632(CHEMBL2333941)Copy SMILESCopy InChI

Affinity DataIC50:  1.57E+4nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI