Reaction Details Report a problem with these data
Target
Tissue factor
Ligand
BDBM50293377
Substrate
n/a
Meas. Tech.
ChEMBL_572140 (CHEMBL1024282)
IC50
19700±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 
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:
BDBM50293377
Synonyms:
(R)-N-(4-carbamimidoylbenzyl)-3-(4-oxo-3-(phenylmethylsulfonamido)-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)propanamide, trifluoroacetate | CHEMBL553644
Type:
Small organic molecule
Emp. Form.:
C27H29N5O4S2
Mol. Mass.:
551.68
SMILES:
NC(=N)c1ccc(CNC(=O)CCN2c3ccccc3SC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: