BDBM50598268 CHEMBL5177587

SMILES CC(C)[C@H](NC(=O)[C@H]1CSCc2cccc(CSC[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CSCc4cccc(CSC[C@@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N5CCC[C@H]5C(=O)N3)n4)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)n2)C(O)=O

InChI Key InChIKey=OUXDEDJWALIREE-UHFFFAOYSA-N

Data  1 KI

  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 1 hit for monomerid = 50598268   

TargetKallikrein-5(Human)
Ecole Polytechnique F�D�Rale De Lausanne (Epfl)

Curated by ChEMBL
LigandPNGBDBM50598268(CHEMBL5177587)
Affinity DataKi:  2nMAssay Description:Inhibition of C-terminal poly-His-tagged human recombinant KLK5 (30 to 293 residues) transfected in CHO cells assessed as inhibition constant using B...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed