BDBM50312538 CHEMBL1076902::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-benzyloxymethyl)-2-hydroxypentyl]-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenylethyl)-isophthalamide::N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

SMILES CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1

InChI Key InChIKey=SQCCLROLILAOBD-MLLWAOEYSA-N

Data  3 IC50

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 = 50312538   

TargetBeta-secretase 1(Human)
Link£Ping University

Curated by ChEMBL
LigandPNGBDBM50312538(CHEMBL1076902 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarba...)
Affinity DataIC50:  6.60nMAssay Description:Inhibition of BACE1 after 30 mins by homogeneous time resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetCathepsin D(Human)
Link£Ping University

Curated by ChEMBL
LigandPNGBDBM50312538(CHEMBL1076902 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarba...)
Affinity DataIC50:  210nMAssay Description:Inhibition of human liver cathepsin D after 20 mins by homogeneous time resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBeta-secretase 1(Human)
Link£Ping University

Curated by ChEMBL
LigandPNGBDBM50312538(CHEMBL1076902 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarba...)
Affinity DataIC50:  4.50E+3nMAssay Description:Inhibition of human BACE1 in HEK293 cells stably co-transfected with mutant APP(swAPP751) assessed as Amyloid beta 1-40 level after 24 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)