BDBM50080913 (S)-2-{2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propyl)-piperazin-1-yl]-acetylamino}-3-(1-carbamimidoyl-piperidin-3-yl)-N-methyl-propionamide::CHEMBL310722

SMILES CNC(=O)[C@H](CC1CCCN(C1)C(N)=N)NC(=O)CN1[C@H](Cc2ccccc2)C(=O)N(CCCc2ccccc2)CC1=O

InChI Key InChIKey=LAWJGTHRQJWMDO-UHFFFAOYSA-N

Data  1 KI  2 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 3 hits for monomerid = 50080913   

TargetProthrombin(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50080913((S)-2-{2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propy...)
Affinity DataIC50: 440nMAssay Description:Inhibitory concentration required against thrombin was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50080913((S)-2-{2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propy...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibitory concentration required against trypsin was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProthrombin(Human)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50080913((S)-2-{2-[(R)-2-Benzyl-3,6-dioxo-4-(3-phenyl-propy...)
Affinity DataKi:  55nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed