Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50163636
Substrate
n/a
Meas. Tech.
ChEMBL_458976 (CHEMBL925068)
IC50
240±n/a nM
Citation
 Pruitt, JR; Batt, DG; Wacker, DA; Bostrom, LL; Booker, SK; McLaughlin, E; Houghton, GC; Varnes, JG; Christ, DD; Covington, M; Das, AM; Davies, P; Graden, D; Kariv, I; Orlovsky, Y; Stowell, NC; Vaddi, KG; Wadman, EA; Welch, PK; Yeleswaram, S; Solomon, KA; Newton, RC; Decicco, CP; Carter, PH; Ko, SS CC chemokine receptor-3 (CCR3) antagonists: improving the selectivity of DPC168 by reducing central ring lipophilicity. Bioorg Med Chem Lett 17:2992-7 (2007) [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:
BDBM50163636
Synonyms:
1-((1R,2S)-2-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)cyclohexyl)-3-(5-acetyl-4-methylthiazol-2-yl)urea | 1-(5-Acetyl-4-methyl-thiazol-2-yl)-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea | CHEMBL195433
Type:
Small organic molecule
Emp. Form.:
C26H35FN4O2S
Mol. Mass.:
486.645
SMILES:
CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
Structure:
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