BDBM50256264 CHEMBL4099333

SMILES CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c4ccccc14)C(=O)N1CCC1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N2)c3

InChI Key InChIKey=BZKNNTULLXYXIY-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 = 50256264   

TargetPlasma kallikrein(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50256264(CHEMBL4099333)
Affinity DataKi:  0.140nMAssay Description:Inhibition of human plasma kallikrein using fluorogenic H-Pro-Phe-Arg-AMC peptide as substrate preincubated for 15 mins followed by substrate additio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2019
Entry Details Article
PubMed