BDBM50079212 CHEMBL93227::[3-(3-Carbamimidoyl-phenyl)-5-(2'-methylsulfanyl-biphenyl-4-ylcarbamoyl)-4,5-dihydro-isoxazol-5-yl]-acetic acid methyl ester; TFA

SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1SC

InChI Key InChIKey=RGPVNZPSKITBFG-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50079212   

TargetCoagulation factor X(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50079212([3-(3-Carbamimidoyl-phenyl)-5-(2'-methylsulfanyl-b...)
Affinity DataKi:  66nMAssay Description:Binding affinity to purified human coagulation factor Xa (FXa)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/12/2012
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50079212([3-(3-Carbamimidoyl-phenyl)-5-(2'-methylsulfanyl-b...)
Affinity DataKi:  260nMAssay Description:The binding affinity was measured towards human purified trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/12/2012
Entry Details Article
PubMed
TargetProthrombin(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50079212([3-(3-Carbamimidoyl-phenyl)-5-(2'-methylsulfanyl-b...)
Affinity DataKi:  1.20E+3nMAssay Description:The binding affinity towards thrombin obtained from human purified enzymes.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/12/2012
Entry Details Article
PubMed