Reaction Details  Report a problem with these data
Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM50044059
Substrate
n/a
Meas. Tech.
ChEMBL_3972 (CHEMBL618070)
IC50
1400±n/a nM
Citation
 Unangst, PC; Connor, DT; Cetenko, WA; Sorenson, RJ; Kostlan, CR; Sircar, JC; Wright, CD; Schrier, DJ; Dyer, RD Synthesis and biological evaluation of 5-[[3,5-bis(1,1-dimethylethyl)- 4-hydroxyphenyl]methylene]oxazoles, -thiazoles, and -imidazoles: novel dual 5-lipoxygenase and cyclooxygenase inhibitors with antiinflammatory activity. J Med Chem 37:322-8 (1994) [PubMed]
Target
Name:
Polyunsaturated fatty acid 5-lipoxygenase
Synonyms:
Alox5 | Arachidonate 5-lipoxygenase | LOX5_RAT
Type:
PROTEIN
Mol. Mass.:
78082.31
Organism:
Rattus norvegicus
Description:
ChEMBL_1432947
Residue:
673
Sequence:
MPSYTVTVATGSQWFAGTDDYIYLSLIGSAGCSEKHLLDKAFYNDFERGGRDSYDVTVDEELGEIYLVKIEKRKYRLHDDWYLKYITLKTPHDYIEFPCYRWITGEGEIVLRDGCAKLARDDQIHILKQHRRKELETRQKQYRWMEWNPGFPLSIDAKCHKDLPRDIQFDSEKGVDFVLNYSKAMENLFINRFMHMFQSSWHDFADFEKIFVKISNTISERVKNHWQEDLMFGYQFLNGCNPVLIKRCTELPKKLPVTTEMVECSLERQLSLEQEVQEGNIFIVDYELLDGIDANKTDPCTHQFLAAPICLLYKNLANKIVPIAIQLNQTPGEKNPIFLPTDSKYDWLLAKIWVRSSDFHIHQTITHLLRTHLVSEVFGIAMYRQLPAVHPLFKLLVAHVRFTIAINTKAREQLNCEYGLFDKANATGGGGHVQMVQRAVQDLTYSSLCFPEAIKARGMDNTEDIPYYFYRDDGLLVWEAIQSFTTEVVSIYYEDDQVVEEDQELQDFVKDVYVYGMRGRKASGFPKSIKSREKLSEYLTVVIFTASAQHAAVNFGQYDWCSWIPNAPPTMRAPPPTAKGVVTIEQIVDTLPDRGRSCWHLGAVWALSQFQENELFLGMYPEEHFIEKPVKEAMIRFRKNLEAIVSVIAERNKNKKLPYYYLSPDRIPNSVAI
  
Inhibitor
Name:
BDBM50044059
Synonyms:
5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-thiazolidine-2,4-dione | 5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-2-hydroxy-thiazol-4-one | CHEMBL49008
Type:
Small organic molecule
Emp. Form.:
C18H23NO3S
Mol. Mass.:
333.445
SMILES:
CC(C)(C)c1cc(\C=C2/SC(=O)NC2=O)cc(c1O)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: