BDBM50090473 Kalata B1

SMILES [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@]([H])(NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@]([H])(NC(=O)[C@H](CS)NC(=O)CNC2=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O

InChI Key InChIKey=GQMIKDMGMMDPCG-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50090473   

TargetProlyl endopeptidase(Human)
Medical University of Vienna

Curated by ChEMBL
LigandPNGBDBM50090473(Kalata B1)
Affinity DataIC50: 1.97E+3nMAssay Description:Inhibition of human recombinant POP pre-incubated for 15 mins before Z-Gly-Pro-AMC substrate addition and further incubated for 1 hr by fluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2016
Entry Details Article
PubMed