BDBM50085517 CHEMBL556200::Cyclic urea 2,4-diazepin-3-one analogue

SMILES NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(CCc3ccccc3)CC2)C1=O

InChI Key InChIKey=WVVCKIYKSADBGG-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 = 50085517   

TargetCoagulation factor X(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50085517(Cyclic urea 2,4-diazepin-3-one analogue | CHEMBL55...)
Affinity DataKi:  220nMAssay 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
LigandPNGBDBM50085517(Cyclic urea 2,4-diazepin-3-one analogue | CHEMBL55...)
Affinity DataKi:  1.00E+3nMAssay 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
LigandPNGBDBM50085517(Cyclic urea 2,4-diazepin-3-one analogue | CHEMBL55...)
Affinity DataKi:  3.60E+3nMAssay Description:Inhibitory activity against thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2012
Entry Details Article
PubMed