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 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)\[#6]=[#6]\[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-1=O)-[#7]-[#6]=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)
Université

Curated by ChEMBL
LigandPNGBDBM50118723(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
TargetProthrombin(Human)
Université

Curated by ChEMBL
LigandPNGBDBM50118723(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)
Université

Curated by ChEMBL
LigandPNGBDBM50118723(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)
Université

Curated by ChEMBL
LigandPNGBDBM50118723(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