Reaction Details Report a problem with these data
Target
Cytochrome P450 2E1
Ligand
BDBM50444546
Substrate
n/a
Meas. Tech.
ChEMBL_1281748 (CHEMBL3100517)
IC50
>20000±n/a nM
Citation
 Tukulula, M; Njoroge, M; Abay, ET; Mugumbate, GC; Wiesner, L; Taylor, D; Gibhard, L; Norman, J; Swart, KJ; Gut, J; Rosenthal, PJ; Barteau, S; Streckfuss, J; Kameni-Tcheudji, J; Chibale, K Synthesis and in vitro and in vivo pharmacological evaluation of new 4-aminoquinoline-based compounds. ACS Med Chem Lett 4:1198-202 (2013) [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:
BDBM50444546
Synonyms:
CHEMBL2414256
Type:
Small organic molecule
Emp. Form.:
C23H25Cl2N7
Mol. Mass.:
470.398
SMILES:
CC(C)(C)n1nnnc1C(NCCNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: