BDBM50603526 CHEMBL5184529

SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCOCCOCCn1cc(CNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@@]22Oc3ccc(cc3C=C2)[N+]([O-])=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)C(CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@]22CCc3cc(ccc3O2)[N+]([O-])=O)nn1

InChI Key InChIKey=SQKBSPJLGLPLAW-LPHOTGGXSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50603526   

TargetCathepsin D(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50603526(CHEMBL5184529)
Affinity DataIC50:  22nMAssay Description:Inhibition of recombinant human liver Cathepsin D using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate incubated for 120 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50603526(CHEMBL5184529)
Affinity DataIC50:  828nMAssay Description:Inhibition of BACE1 (unknown origin) using Mca-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-Lys(Dnp)-Arg-Arg-NH2 as substrate incubated for 120 mins by fl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCathepsin E(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50603526(CHEMBL5184529)
Affinity DataIC50:  12nMAssay Description:Inhibition of Cathepsin E (unknown origin) using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate incubated for 120 mins by f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed