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Target
Cytochrome P450 2E1
Ligand
BDBM50209505
Substrate
n/a
Meas. Tech.
ChEMBL_443558 (CHEMBL893815)
IC50
>100000±n/a nM
Citation
 Labrie, P; Maddaford, SP; Lacroix, J; Catalano, C; Lee, DK; Rakhit, S; Gaudreault, RC In vitro activity of novel dual action MDR anthranilamide modulators with inhibitory activity on CYP-450 (Part 2). Bioorg Med Chem 15:3854-68 (2007) [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:
BDBM50209505
Synonyms:
CHEMBL244239 | N-(2-((2-((3,4-dimethoxyphenethyl)(methyl)amino)ethyl)carbamoyl)phenyl)quinoline-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C30H32N4O4
Mol. Mass.:
512.5995
SMILES:
COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC
Structure:
Search PDB for entries with ligand similarity: