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Target
Cytochrome P450 2D6
Ligand
BDBM50526225
Substrate
n/a
Meas. Tech.
ChEMBL_1899432 (CHEMBL4401547)
IC50
1600±n/a nM
Citation
 Francis, S; Croft, D; Schüttelkopf, AW; Parry, C; Pugliese, A; Cameron, K; Claydon, S; Drysdale, M; Gardner, C; Gohlke, A; Goodwin, G; Gray, CH; Konczal, J; McDonald, L; Mezna, M; Pannifer, A; Paul, NR; Machesky, L; McKinnon, H; Bower, J Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents. Bioorg Med Chem Lett 29:1023-1029 (2019) [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:
BDBM50526225
Synonyms:
CHEMBL4452711
Type:
Small organic molecule
Emp. Form.:
C24H22Cl2N6O2
Mol. Mass.:
497.376
SMILES:
Clc1ccc(Cn2cc(C(=O)Nc3ccncc3)c3n(ncc3c2=O)C2CCNCC2)cc1Cl
Structure:
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