Reaction Details Report a problem with these data
Target
Vascular cell adhesion protein 1
Ligand
BDBM50117528
Substrate
n/a
Meas. Tech.
ChEBML_213820
IC50
40000±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:
BDBM50117528
Synonyms:
CHEMBL312723 | Succinic acid 2,6-di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-methyl-ethylsulfanyl]-phenyl ester methyl ester
Type:
Small organic molecule
Emp. Form.:
C36H54O5S2
Mol. Mass.:
630.941
SMILES:
COC(=O)CCC(=O)Oc1c(cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1C(C)(C)C)C(C)(C)C
Structure:
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