BDBM50326023 (2R,5S,8S,11S,14S,17S)-1-((S)-2-((5R,8S,14S,17S,20S)-17-((1H-indol-3-yl)methyl)-1-amino-8-((R)-1-hydroxyethyl)-14-(hydroxymethyl)-5-(mercaptomethyl)-22-methyl-1,4,7,10,13,16,19-heptaoxo-3,6,9,12,15,18-hexaazatricosan-20-ylcarbamoyl)pyrrolidin-1-yl)-5-(2-amino-2-oxoethyl)-17-((S)-2-((R)-2-((S)-2-aminopropanamido)-3-mercaptopropanamido)-3-hydroxypropanamido)-11-benzyl-8,14-bis(3-guanidinopropyl)-2-(mercaptomethyl)-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid::CHEMBL1240697

SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)NCC(N)=O

InChI Key InChIKey=SYPVWRFLOBCZKO-MELGYJOSSA-N

Data  1 IC50

  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 = 50326023   

TargetPlasma kallikrein(Homo sapiens (Human))
Laboratory Of Molecular Biology, Medical Research Council

Curated by ChEMBL
LigandPNGBDBM50326023((2R,5S,8S,11S,14S,17S)-1-((S)-2-((5R,8S,14S,17S,20...)
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 ArticlePubMed