Reaction Details  Report a problem with these data
Target
Cytochrome P450 2E1
Ligand
BDBM50247595
Substrate
n/a
Meas. Tech.
ChEMBL_1678226 (CHEMBL4028369)
IC50
>100000±n/a nM
Citation
 Wu, CH; Song, JS; Kuan, HH; Wu, SH; Chou, MC; Jan, JJ; Tsou, LK; Ke, YY; Chen, CT; Yeh, KC; Wang, SY; Yeh, TK; Tseng, CT; Huang, CL; Wu, MH; Kuo, PC; Lee, CJ; Shia, KS Development of Stem-Cell-Mobilizing Agents Targeting CXCR4 Receptor for Peripheral Blood Stem Cell Transplantation and Beyond. J Med Chem 61:818-833 (2018) [PubMed]  Article
Target
Name:
Cytochrome P450 2E1
Synonyms:
CP2E1_HUMAN | CYP2E | CYP2E1 | Cytochrome P450 2E1 (CYP2E1)
Type:
Enzyme
Mol. Mass.:
56860.34
Organism:
Homo sapiens (Human)
Description:
P05181
Residue:
493
Sequence:
MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLELKNIPKSFTRLAQRFGPVFTLYVGSQRMVVMHGYKAVKEALLDYKDEFSGRGDLPAFHAHRDRGIIFNNGPTWKDIRRFSLTTLRNYGMGKQGNESRIQREAHFLLEALRKTQGQPFDPTFLIGCAPCNVIADILFRKHFDYNDEKFLRLMYLFNENFHLLSTPWLQLYNNFPSFLHYLPGSHRKVIKNVAEVKEYVSERVKEHHQSLDPNCPRDLTDCLLVEMEKEKHSAERLYTMDGITVTVADLFFAGTETTSTTLRYGLLILMKYPEIEEKLHEEIDRVIGPSRIPAIKDRQEMPYMDAVVHEIQRFITLVPSNLPHEATRDTIFRGYLIPKGTVVVPTLDSVLYDNQEFPDPEKFKPEHFLNENGKFKYSDYFKPFSTGKRVCAGEGLARMELFLLLCAILQHFNLKPLVDPKDIDLSPIHIGFGCIPPRYKLCVIPRS
  
Inhibitor
Name:
BDBM50247595
Synonyms:
CHEMBL4064397
Type:
Small organic molecule
Emp. Form.:
C30H51N11O3
Mol. Mass.:
613.7978
SMILES:
Cc1cc(NC2CCN(CC2)C(=O)CCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1
Structure:
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