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Target
Nuclear factor erythroid 2-related factor 2
Ligand
BDBM50508475
Substrate
n/a
Meas. Tech.
ChEMBL_1833197 (CHEMBL4333205)
IC50
19953±n/a nM
Citation
 Boehm, J; Davis, R; Murar, CE; Li, T; McCleland, B; Dong, S; Yan, H; Kerns, J; Moody, CJ; Wilson, AJ; Graves, AP; Mentzer, M; Qi, H; Yonchuk, J; Kou, JP; Foley, J; Sanchez, Y; Podolin, PL; Bolognese, B; Booth-Genthe, C; Galop, M; Wolfe, L; Carr, R; Callahan, JF Discovery of a crystalline sulforaphane analog with good solid-state stability and engagement of the Nrf2 pathway in vitro and in vivo. Bioorg Med Chem 27:579-588 (2019) [PubMed]  Article 
Target
Name:
Nuclear factor erythroid 2-related factor 2
Synonyms:
HEBP1 | Kelch-like ECH-associated protein 1 | NF-E2-related factor 2 | NF2L2_HUMAN | NFE2-related factor 2 | NFE2L2 | NRF2 | Nuclear factor erythroid 2-related factor 2 | Nuclear factor, erythroid derived 2, like 2
Type:
PROTEIN
Mol. Mass.:
67786.89
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107924
Residue:
605
Sequence:
MMDLELPPPGLPSQQDMDLIDILWRQDIDLGVSREVFDFSQRRKEYELEKQKKLEKERQEQLQKEQEKAFFAQLQLDEETGEFLPIQPAQHIQSETSGSANYSQVAHIPKSDALYFDDCMQLLAQTFPFVDDNEVSSATFQSLVPDIPGHIESPVFIATNQAQSPETSVAQVAPVDLDGMQQDIEQVWEELLSIPELQCLNIENDKLVETTMVPSPEAKLTEVDNYHFYSSIPSMEKEVGNCSPHFLNAFEDSFSSILSTEDPNQLTVNSLNSDATVNTDFGDEFYSAFIAEPSISNSMPSPATLSHSLSELLNGPIDVSDLSLCKAFNQNHPESTAEFNDSDSGISLNTSPSVASPEHSVESSSYGDTLLGLSDSEVEELDSAPGSVKQNGPKTPVHSSGDMVQPLSPSQGQSTHVHDAQCENTPEKELPVSPGHRKTPFTKDKHSSRLEAHLTRDELRAKALHIPFPVEKIINLPVVDFNEMMSKEQFNEAQLALIRDIRRRGKNKVAAQNCRKRKLENIVELEQDLDHLKDEKEKLLKEKGENDKSLHLLKKQLSTLYLEVFSMLRDEDGKPYSPSEYSLQQTRDGNVFLVPKSKKPDVKKN
  
Inhibitor
Name:
BDBM50508475
Synonyms:
CHEMBL4451846
Type:
Small organic molecule
Emp. Form.:
C19H30N4OS2
Mol. Mass.:
394.598
SMILES:
CN1CCC(CC1)SC(=S)NCCCCNC(=O)NCc1ccccc1
Structure:
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