BDBM50300187 CHEMBL573106::N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE::N1-((2S,3S,5R)-6-((S)-1-(benzylamino)-3-methyl-1-oxobutan-2-ylamino)-1-(3,5-difluorophenoxy)-3-hydroxy-5-methoxy-6-oxohexan-2-yl)-5-(N-methylmethylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide

SMILES CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1

InChI Key InChIKey=IEIHXPJWOSDLBU-VWMOWEEZSA-N

Data  2 KI  1 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 = 50300187   

TargetBeta-secretase 1(Homo sapiens (Human))
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50300187(CHEMBL573106 | N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PR...)
Affinity DataKi: <1nMAssay Description:Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assayMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50300187(CHEMBL573106 | N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PR...)
Affinity DataKi:  1.10E+3nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50300187(CHEMBL573106 | N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PR...)
Affinity DataIC50:  0.320nMAssay Description:Inhibition of human brain BACE1 expressed in Escherichia coli BL21(DE) by TRF assayMore data for this Ligand-Target Pair