Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM50269581
Substrate
n/a
Meas. Tech.
ChEMBL_1706757 (CHEMBL4057990)
IC50
1610±n/a nM
Citation
 Shen, FQ; Wang, ZC; Wu, SY; Ren, SZ; Man, RJ; Wang, BZ; Zhu, HL Synthesis of novel hybrids of pyrazole and coumarin as dual inhibitors of COX-2 and 5-LOX. Bioorg Med Chem Lett 27:3653-3660 (2017) [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:
BDBM50269581
Synonyms:
CHEMBL4076451
Type:
Small organic molecule
Emp. Form.:
C28H23N3O8S
Mol. Mass.:
561.563
SMILES:
COc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)OCCOc1ccc2ccc(=O)oc2c1
Structure:
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