Reaction Details Report a problem with these data
Target
E-selectin
Ligand
BDBM50029629
Substrate
n/a
Meas. Tech.
ChEMBL_60886 (CHEMBL673533)
IC50
6600±n/a nM
Citation
 Boschelli, DH; Kramer, JB; Connor, DT; Lesch, ME; Schrier, DJ; Ferin, MA; Wright, CD 3-Alkoxybenzo[b]thiophene-2-carboxamides as inhibitors of neutrophil-endothelial cell adhesion. J Med Chem 37:717-8 (1994) [PubMed]  Article 
Target
Name:
E-selectin
Synonyms:
ELAM1 | LYAM2_HUMAN | SELE | Selectin | Selectin E
Type:
PROTEIN
Mol. Mass.:
66642.96
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1438995
Residue:
610
Sequence:
MIASQFLSALTLVLLIKESGAWSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLNSILSYSPSYYWIGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREKDVGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSGLKCEQIVNCTALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMETMQCMSSGEWSAPIPACNVVECDAVTNPANGFVECFQNPGSFPWNTTCTFDCEEGFELMGAQSLQCTSSGNWDNEKPTCKAVTCRAVRQPQNGSVRCSHSPAGEFTFKSSCNFTCEEGFMLQGPAQVECTTQGQWTQQIPVCEAFQCTALSNPERGYMNCLPSASGSFRYGSSCEFSCEQGFVLKGSKRLQCGPTGEWDNEKPTCEAVRCDAVHQPPKGLVRCAHSPIGEFTYKSSCAFSCEEGFELHGSTQLECTSQGQWTEEVPSCQVVKCSSLAVPGKINMSCSGEPVFGTVCKFACPEGWTLNGSAARTCGATGHWSGLLPTCEAPTESNIPLVAGLSAAGLSLLTLAPFLLWLRKCLRKAKKFVPASSCQSLESDGSYQKPSYIL
  
Inhibitor
Name:
BDBM50029629
Synonyms:
3-Isopropoxy-5-methoxy-1-oxo-1H-1lambda*4*-benzo[b]thiophene-2-carboxylic acid amide | 3-Isopropoxy-5-methoxy-1-oxo-benzo[b]thiophene-2-carboxylic acid amide | CHEMBL143702
Type:
Small organic molecule
Emp. Form.:
C13H15NO4S
Mol. Mass.:
281.328
SMILES:
COc1ccc2c(c1)c(OC(C)C)c(C(N)=O)s2=O
Structure:
Search PDB for entries with ligand similarity: