BDBM50069161 CHEMBL2373344::N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-pentyl]-2-(5-benzyl-3-benzyloxymethyl-[1,2,4]triazol-1-yl)-acetamide

SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(COCc2ccccc2)nc1Cc1ccccc1

InChI Key InChIKey=KXVNPJHKDAQTEB-UHFFFAOYSA-N

Data  4 KI

  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 = 50069161   

TargetProthrombin(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50069161(N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,...)
Affinity DataKi:  8.70nMAssay Description:Inhibition against human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProthrombin(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50069161(N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,...)
Affinity DataKi:  1.30E+3nMAssay Description:Concentration necessary to double the time required for clot formation induced by the addition of 4 NIH u/mL(final concentration) bovine thrombin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCoagulation factor VII(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50069161(N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,...)
Affinity DataKi:  1.50E+3nMAssay Description:Inhibition against human Coagulation factor VIIMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50069161(N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,...)
Affinity DataKi:  1.60E+3nMAssay Description:Inhibition against human coagulation factor XaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed