Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM50003116
Substrate
n/a
Meas. Tech.
ChEMBL_3898 (CHEMBL619903)
IC50
1700±n/a nM
Citation
 Unangst, PC; Shrum, GP; Connor, DT; Dyer, RD; Schrier, DJ Novel 1,2,4-oxadiazoles and 1,2,4-thiadiazoles as dual 5-lipoxygenase and cyclooxygenase inhibitors. J Med Chem 35:3691-8 (1992) [PubMed]  Article 
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:
BDBM50003116
Synonyms:
CHEMBL331793 | N-[3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,2,4]oxadiazol-5-yl]-guanidine; compound with methanesulfonic acid
Type:
Small organic molecule
Emp. Form.:
C17H25N5O2
Mol. Mass.:
331.4127
SMILES:
[#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-c1noc(\[#7]=[#6](/[#7])-[#7])n1
Structure:
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