BDBM50289346 (S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-propionyl]-pyrrolidine-2-carboxylic acid [(R)-4-(2-amino-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::CID44380634::heterocyclic thrombin inhibitor 9

SMILES CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

InChI Key InChIKey=RYQMPGLCCOYWRL-GXTNIHNTSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50289346   

TargetProthrombin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50289346((S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-pro...)
Affinity DataKi:  3.20nMAssay Description:Tested for the binding affinity against thrombinChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSerine protease 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50289346((S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-pro...)
Affinity DataKi:  40nMAssay Description:Tested for selectivity against trypsinChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetCoagulation factor X(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50289346((S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-pro...)
Affinity DataKi:  970nMAssay Description:Tested for selectivity against Coagulation factor XChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article