BDBM50069159 CHEMBL2375178::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-cyanomethyl-[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(CC#N)nc1Cc1ccccc1

InChI Key InChIKey=CTJBFJRLIYRRCN-UHFFFAOYSA-N

Data  5 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50069159   

TargetProthrombin(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50069159(N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,...)
Affinity DataKi:  3.5nMAssay 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
LigandPNGBDBM50069159(N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,...)
Affinity DataKi:  3.5nMAssay Description:Inhibition of trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50069159(N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,...)
Affinity DataKi:  3.5nMAssay Description:Inhibition of trypsinMore 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
LigandPNGBDBM50069159(N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,...)
Affinity DataKi:  3.5nMAssay 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
LigandPNGBDBM50069159(N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,...)
Affinity DataKi: >6.00E+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