BDBM50501809 CHEMBL4463201

SMILES C[C@@]1(N=C(N)SC[C@H]1c1ccccc1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F

InChI Key InChIKey=BCDWEYSMCDBNJS-GAJHUEQPSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50501809   

TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL

LigandBDBM50501809(CHEMBL4463201)Copy SMILESCopy InChI

Affinity DataIC50:  2nMAssay Description:Inhibition of BACE1 in human SKNBE2 cells expressing APP695 assessed as reduction in Abeta42 level measured after 18 hrs by sandwich ELISAMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetBeta-secretase 2(Human)
TBA

Curated by ChEMBL

LigandBDBM50501809(CHEMBL4463201)Copy SMILESCopy InChI

Affinity DataIC50:  13nMAssay Description:Inhibition of BACE2 (unknown origin) using Mca-APP Swedish Lys-Met/Asn-Leu mutant-Dnp quencher as substrate by fluorescence assayMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetBeta-secretase 1(Human)
TBA

Curated by ChEMBL

LigandBDBM50501809(CHEMBL4463201)Copy SMILESCopy InChI

Affinity DataIC50:  3.30nMAssay Description:Inhibition of BACE1 (1 to 454 residues) (unknown origin) using Mca-APP Swedish Lys-Met/Asn-Leu mutant-Dnp quencher as substrate by fluorescence assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL