BDBM50118723 CHEMBL342672::CYCLOTHEONAMIDE A::N-[14-Benzyl-18-(3-guanidino-propyl)-11-(4-hydroxy-benzyl)-4,8,13,16,17,20-hexaoxo-1,2,3,5,6,7,8,11,12,13,14,15,16,17,18,19,20,20a-octadecahydro-4H-3a,7,12,15,19-pentaaza-cyclopentacyclononadecen-5-yl]-formamide

SMILES NC(N)=NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC=O)CNC(=O)/C=C/[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C1=O

InChI Key InChIKey=MBJPWHNPBQRVRY-UHFFFAOYSA-N

Data  2 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 4 hits for monomerid = 50118723   

TargetProthrombin(Human)
Research and Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50118723BDBM50118723(N-[14-Benzyl-18-(3-guanidino-propyl)-11-(4-hydroxy...)
Affinity DataKi:  1nMAssay Description:Inhibitory activity against thrombin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Research and Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50118723BDBM50118723(N-[14-Benzyl-18-(3-guanidino-propyl)-11-(4-hydroxy...)
Affinity DataIC50: 23nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Research and Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50118723BDBM50118723(N-[14-Benzyl-18-(3-guanidino-propyl)-11-(4-hydroxy...)
Affinity DataKi:  180nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetProthrombin(Human)
Research and Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50118723BDBM50118723(N-[14-Benzyl-18-(3-guanidino-propyl)-11-(4-hydroxy...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of factor 2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed