BDBM50598269 CHEMBL5209454

SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCc1cccc(CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CSCc3cccc(CSC[C@H](NC(=O)[C@H](CC(C)C)NC2=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(O)=O)n3)n1)NC(=O)[C@H](C)N)[C@@H](C)O

InChI Key InChIKey=FZVRFIYIHJDHAP-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50598269   

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

Curated by ChEMBL
LigandPNGBDBM50598269(CHEMBL5209454)
Affinity DataKi:  6.10nMAssay 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