BDBM50333945 (S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methyl)-2-{(S)-2-hydroxy-2-[(S)-18-(methanesulfonyl-methyl-amino)-2,15-dioxo-4-phenyl-11-oxa-3,14-diaza-tricyclo[14.3.1.1*5,9*]henicosa-1(20),5,7,9(21),16,18-hexaen-13-yl]-ethyl}-3-methyl-butyramide::CHEMBL1644463

SMILES CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C)C(=O)NCc1ccccc1

InChI Key InChIKey=FORMHTPKYXAYSB-SPHURBIESA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50333945   

TargetCathepsin D(Homo sapiens (Human))
Medivir

Curated by ChEMBL
LigandPNGBDBM50333945((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...)
Affinity DataKi:  0.75nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Medivir

Curated by ChEMBL
LigandPNGBDBM50333945((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...)
Affinity DataKi:  3.30nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Medivir

Curated by ChEMBL
LigandPNGBDBM50333945((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...)
Affinity DataKi:  7nMAssay Description:Inhibition of human plasma reninMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Medivir

Curated by ChEMBL
LigandPNGBDBM50333945((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...)
Affinity DataIC50:  240nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed