BDBM50240557 CHEMBL4065655

SMILES CCc1cn2c3c1cc(cc3N(S(=O)(=O)C(C2)(C)C)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H]([C@H]5C(=O)N(CCN5)Cc6ccccc6)O

InChI Key InChIKey=WBWSVNAKBNLSOJ-UHFFFAOYSA-N

Data  2 KI  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50240557   

TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50240557(CHEMBL4065655)
Affinity DataEC50:  19nMAssay Description:Inhibition of BACE1 (unknown origin) by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50240557(CHEMBL4065655)
Affinity DataKi:  67nMAssay Description:Inhibition of recombinant human BACE1 (Ala8P to Ala326 residues) expressed in Escherichia coli BL21(DE3) using Arg-Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 2(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50240557(CHEMBL4065655)
Affinity DataKi:  7.14E+3nMAssay Description:Inhibition of BACE2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2019
Entry Details Article
PubMed