BDBM50079253 3-(3-Carbamimidoyl-phenyl)-5-tetrazol-1-ylmethyl-4,5-dihydro-isoxazole-5-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide; TFA::CHEMBL1183989::CHEMBL327331

SMILES NC(=N)c1cccc(c1)C1=NOC(Cn2cnnn2)(C1)C(=O)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O

InChI Key InChIKey=IGNSBDLQAZHCTR-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50079253   

TargetCoagulation factor X(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50079253(CHEMBL1183989 | CHEMBL327331 | 3-(3-Carbamimidoyl-...)
Affinity DataKi:  0.320nMAssay 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
TargetCoagulation factor X(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50079253(CHEMBL1183989 | CHEMBL327331 | 3-(3-Carbamimidoyl-...)
Affinity DataKi:  1.30nMAssay 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
LigandPNGBDBM50079253(CHEMBL1183989 | CHEMBL327331 | 3-(3-Carbamimidoyl-...)
Affinity DataKi:  500nMAssay 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
LigandPNGBDBM50079253(CHEMBL1183989 | CHEMBL327331 | 3-(3-Carbamimidoyl-...)
Affinity DataKi:  7.70E+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