BDBM50085523 Cyclic urea 2,4-diazepin-3-one analogue::bis(2,2,2-trifluoroacetate); [amino(3-{2-oxo-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1,3-diazepan-1-yl}phenyl)methylidene]azanium

SMILES NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(Cc3ccccn3)CC2)C1=O

InChI Key InChIKey=HJNWBAQDUVUXHQ-UHFFFAOYSA-O

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50085523   

TargetCoagulation factor X(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50085523(bis(2,2,2-trifluoroacetate); [amino(3-{2-oxo-3-[1-...)
Affinity DataKi:  12nMAssay Description:Inhibition of coagulation factor XaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2012
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50085523(bis(2,2,2-trifluoroacetate); [amino(3-{2-oxo-3-[1-...)
Affinity DataKi:  120nMAssay Description:Inhibitory activity against trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50085523(bis(2,2,2-trifluoroacetate); [amino(3-{2-oxo-3-[1-...)
Affinity DataKi:  2.60E+3nMAssay Description:Inhibitory activity against thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2012
Entry Details Article
PubMed