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Target
Cytochrome P450 2D6
Ligand
BDBM50056408
Substrate
n/a
Meas. Tech.
ChEMBL_1451407 (CHEMBL3363967)
IC50
19000±n/a nM
Citation
 Voight, EA; Gomtsyan, AR; Daanen, JF; Perner, RJ; Schmidt, RG; Bayburt, EK; DiDomenico, S; McDonald, HA; Puttfarcken, PS; Chen, J; Neelands, TR; Bianchi, BR; Han, P; Reilly, RM; Franklin, PH; Segreti, JA; Nelson, RA; Su, Z; King, AJ; Polakowski, JS; Baker, SJ; Gauvin, DM; Lewis, LR; Mikusa, JP; Joshi, SK; Faltynek, CR; Kym, PR; Kort, ME Discovery of (R)-1-(7-chloro-2,2-bis(fluoromethyl)chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea (A-1165442): a temperature-neutral transient receptor potential vanilloid-1 (TRPV1) antagonist with analgesic efficacy. J Med Chem 57:7412-24 (2014) [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:
BDBM50056408
Synonyms:
CHEMBL3326587
Type:
Small organic molecule
Emp. Form.:
C22H20F3N3O2
Mol. Mass.:
415.4083
SMILES:
Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(F)ccc34)cccc2cn1 |r|
Structure:
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