Reaction Details Report a problem with these data
Target
Vascular cell adhesion protein 1
Ligand
BDBM50117533
Substrate
n/a
Meas. Tech.
ChEBML_213820
IC50
>50000±n/a nM
Citation
 Meng, CQ; Somers, PK; Rachita, CL; Holt, LA; Hoong, LK; Zheng, XS; Simpson, JE; Hill, RR; Olliff, LK; Kunsch, C; Sundell, CL; Parthasarathy, S; Saxena, U; Sikorski, JA; Wasserman, MA Novel phenolic antioxidants as multifunctional inhibitors of inducible VCAM-1 expression for use in atherosclerosis. Bioorg Med Chem Lett 12:2545-8 (2002) [PubMed]  Article 
Target
Name:
Vascular cell adhesion protein 1
Synonyms:
CD106 antigen | INCAM-100 | VCAM-1 | VCAM1 | VCAM1_HUMAN | Vascular cell adhesion protein 1 | Vascular cell adhesion protein 1 (VCAM-1) | Vascular cell adhesion protein 1 precursor
Type:
Other Protein Type
Mol. Mass.:
81259.16
Organism:
Homo sapiens (Human)
Description:
P19320
Residue:
739
Sequence:
MPGKMVVILGASNILWIMFAASQAFKIETTPESRYLAQIGDSVSLTCSTTGCESPFFSWRTQIDSPLNGKVTNEGTTSTLTMNPVSFGNEHSYLCTATCESRKLEKGIQVEIYSFPKDPEIHLSGPLEAGKPITVKCSVADVYPFDRLEIDLLKGDHLMKSQEFLEDADRKSLETKSLEVTFTPVIEDIGKVLVCRAKLHIDEMDSVPTVRQAVKELQVYISPKNTVISVNPSTKLQEGGSVTMTCSSEGLPAPEIFWSKKLDNGNLQHLSGNATLTLIAMRMEDSGIYVCEGVNLIGKNRKEVELIVQEKPFTVEISPGPRIAAQIGDSVMLTCSVMGCESPSFSWRTQIDSPLSGKVRSEGTNSTLTLSPVSFENEHSYLCTVTCGHKKLEKGIQVELYSFPRDPEIEMSGGLVNGSSVTVSCKVPSVYPLDRLEIELLKGETILENIEFLEDTDMKSLENKSLEMTFIPTIEDTGKALVCQAKLHIDDMEFEPKQRQSTQTLYVNVAPRDTTVLVSPSSILEEGSSVNMTCLSQGFPAPKILWSRQLPNGELQPLSENATLTLISTKMEDSGVYLCEGINQAGRSRKEVELIIQVTPKDIKLTAFPSESVKEGDTVIISCTCGNVPETWIILKKKAETGDTVLKSIDGAYTIRKAQLKDAGVYECESKNKVGSQLRSLTLDVQGRENNKDYFSPELLVLYFASSLIIPAIGMIIYFARKANMKGSYSLVEAQKSKV
  
Inhibitor
Name:
BDBM50117533
Synonyms:
CHEMBL82014 | Oxalic acid mono-{2,6-di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-methyl-ethylsulfanyl]-phenyl} ester
Type:
Small organic molecule
Emp. Form.:
C33H48O5S2
Mol. Mass.:
588.861
SMILES:
CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(OC(=O)C(O)=O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
Structure:
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