BDBM50079249 3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dihydro-isoxazole-5-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide; TFA::CHEMBL92909

SMILES COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O

InChI Key InChIKey=DEKNGEPVVQKQJB-UHFFFAOYSA-N

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 = 50079249   

TargetCoagulation factor X(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50079249(3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...)
Affinity DataKi:  2.5nMAssay Description:Binding affinity towards human purified Coagulation factor Xa (FXa)More 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
LigandPNGBDBM50079249(3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...)
Affinity DataKi:  45nMAssay Description:Binding affinity towards trypsin obtained from human purified enzymesMore 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
LigandPNGBDBM50079249(3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...)
Affinity DataKi:  7.40E+3nMAssay Description:Binding affinity towards thrombin obtained from human purified enzymesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed