BDBM50326020 (2R,3S,6S,9S,12S,15S,18R,21S,27S)-6-((1H-indol-3-yl)methyl)-9-(2-amino-2-oxoethyl)-3-((S)-2-((R)-1-(2-amino-2-oxoethylamino)-3-mercapto-1-oxopropan-2-ylcarbamoyl)pyrrolidine-1-carbonyl)-27-((5S,11R,14R)-14-amino-5-((S)-1-hydroxyethyl)-11-(mercaptomethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)-15,21-bis(3-guanidinopropyl)-2-hydroxy-12-isopropyl-18-(mercaptomethyl)-5,8,11,14,17,20,23,26-octaoxo-4,7,10,13,16,19,22,25-octaazatriacontan-30-oic acid::CHEMBL1240700

SMILES CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)NCC(N)=O

InChI Key InChIKey=YKZKODLTIIYGAU-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326020   

TargetPlasma kallikrein(Human)
Laboratory of Molecular Biology, Medical Research Council

Curated by ChEMBL
LigandPNGBDBM50326020((2R,3S,6S,9S,12S,15S,18R,21S,27S)-6-((1H-indol-3-y...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human plasma kallikrein using Z-Phe-Arg-AMC substrate after 30 mins by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed