BDBM50289345 (S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-propionyl]-pyrrolidine-2-carboxylic acid [(R)-4-(2-nitro-imidazol-1-yl)-1-((2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-butyl]-amide::CID44380721::heterocyclic thrombin inhibitor 10

SMILES CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1[N+]([O-])=O)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

InChI Key

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50289345   

TargetProthrombin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50289345(heterocyclic thrombin inhibitor 10 | (S)-1-[(R)-2-...)
Affinity DataKi:  15nMAssay Description:Tested for the binding affinity against thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2012
Entry Details Article

TargetSerine protease 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50289345(heterocyclic thrombin inhibitor 10 | (S)-1-[(R)-2-...)
Affinity DataKi: >1.20E+3nMAssay Description:Tested for selectivity against trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2012
Entry Details Article

TargetCoagulation factor X(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50289345(heterocyclic thrombin inhibitor 10 | (S)-1-[(R)-2-...)
Affinity DataKi:  6.00E+3nMAssay Description:Tested for selectivity against Coagulation factor XMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2012
Entry Details Article