BDBM50452158 CHEMBL1801042

SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]4([H])CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@]5([H])CCCN5C(=O)[C@]([H])(CSSC[C@]([H])(NC(=O)[C@H](C)NC(=O)CNC2=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N4)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC3=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1

InChI Key InChIKey=AVOIFZYIRUELSS-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50452158   

TargetSerine protease 1(Bovine)
University of Southern California

Curated by ChEMBL
LigandPNGBDBM50452158(CHEMBL1801042)
Affinity DataKi:  0.0200nMAssay Description:Inhibition of bovine beta-trypsin incubated for 5 mins using BAPNA as substrate by colorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed