Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50334248
Substrate
n/a
Meas. Tech.
ChEMBL_699594 (CHEMBL1647952)
IC50
39200±n/a nM
Citation
 Nirogi, RV; Deshpande, AD; Kambhampati, R; Badange, RK; Kota, L; Daulatabad, AV; Shinde, AK; Ahmad, I; Kandikere, V; Jayarajan, P; Dubey, PK Indole-3-piperazinyl derivatives: novel chemical class of 5-HT(6) receptor antagonists. Bioorg Med Chem Lett 21:346-9 (2010) [PubMed]  Article 
Target
Name:
Cytochrome P450 2D6
Synonyms:
CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:
Protein
Mol. Mass.:
55774.82
Organism:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50334248
Synonyms:
1-(4-Isopropylbenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1H-indole | CHEMBL1642412
Type:
Small organic molecule
Emp. Form.:
C22H27N3O2S
Mol. Mass.:
397.534
SMILES:
CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccccc12
Structure:
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