BDBM50080917 CHEMBL83001::N-[(S)-2-Benzothiazol-2-yl-1-(1-carbamimidoyl-piperidin-3-ylmethyl)-2-oxo-ethyl]-2-[(R)-2-benzyl-3,6-dioxo-4-(3-phenyl-propyl)-piperazin-1-yl]-acetamide

SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nc3ccccc3s2)C1

InChI Key InChIKey=DBUMLGUZNUTCBH-WTZZRBGHSA-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 = 50080917   

TargetProthrombin(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50080917(CHEMBL83001 | N-[(S)-2-Benzothiazol-2-yl-1-(1-carb...)
Affinity DataKi:  80nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50080917(CHEMBL83001 | N-[(S)-2-Benzothiazol-2-yl-1-(1-carb...)
Affinity DataIC50:  3.70E+3nMAssay Description:Inhibitory concentration of the compound required against trypsin was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50080917(CHEMBL83001 | N-[(S)-2-Benzothiazol-2-yl-1-(1-carb...)
Affinity DataIC50:  150nMAssay Description:Inhibitory concentration of the compound required against thrombin was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed