BDBM50080138 (S)-2-[(R)-2-({5-[(S)-1-((R)-1-Carboxy-ethylcarbamoyl)-ethylcarbamoyl]-9,9-dimethyl-9H-xanthene-4-carbonyl}-amino)-propionylamino]-propionic acid::CHEMBL3085151

SMILES C[C@H](NC(=O)[C@H](C)NC(=O)c1cccc2c1Oc1c(cccc1C2(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O)C(O)=O

InChI Key InChIKey=QHRORTXZHJRITC-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 = 50080138   

TargetTrypsin(Pig)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50080138((S)-2-[(R)-2-({5-[(S)-1-((R)-1-Carboxy-ethylcarbam...)
Affinity DataKi:  2.48E+5nMAssay Description:Inhibition constant (Ki) against trypsin enzyme.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed