Reaction Details Report a problem with these data
Target
Tissue factor
Ligand
BDBM50293390
Substrate
n/a
Meas. Tech.
ChEMBL_572140 (CHEMBL1024282)
IC50
4860±n/a nM
Citation
Ayral, E; Gloanec, P; Bergé, G; de Nanteuil, G; Mennecier, P; Rupin, A; Verbeuren, TJ; Fulcrand, P; Martinez, J; Hernandez, JF Design, synthesis, and biological evaluation of 1,5-benzothiazepine-4-one derivatives targeting factor VIIa/tissue factor. Bioorg Med Chem Lett 19:1386-91 (2009) [PubMed] Article
More Info.:
Target
Name:
Tissue factor
Synonyms:
CD_antigen=CD142 | Coagulation factor III | Coagulation factor VII/tissue factor | F3 | TF | TF_HUMAN | Thromboplastin | Tissue factor
Type:
PROTEIN
Mol. Mass.:
33067.61
Organism:
Homo sapiens (Human)
Description:
ChEMBL_936735
Residue:
295
Sequence:
METPAWPRVPRPETAVARTLLLGWVFAQVAGASGTTNTVAAYNLTWKSTNFKTILEWEPKPVNQVYTVQISTKSGDWKSKCFYTTDTECDLTDEIVKDVKQTYLARVFSYPAGNVESTGSAGEPLYENSPEFTPYLETNLGQPTIQSFEQVGTKVNVTVEDERTLVRRNNTFLSLRDVFGKDLIYTLYYWKSSSSGKKTAKTNTNEFLIDVDKGENYCFSVQAVIPSRTVNRKSTDSPVECMGQEKGEFREIFYIIGAVVFVVIILVIILAISLHKCRKAGVGQSWKENSPLNVS
Inhibitor
Name:
BDBM50293390
Synonyms:
2-[(3S)-8-Amino-3-[benzylsulfonylamino]-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-{4-[amino(imino)methyl]benzyl}-acetamide, bistrifluoroacetate | CHEMBL552698
Type:
Small organic molecule
Emp. Form.:
C26H28N6O4S2
Mol. Mass.:
552.668
SMILES:
NC(=N)c1ccc(CNC(=O)CN2c3ccc(N)cc3SC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r|