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Target
Cytochrome P450 2D6
Ligand
BDBM50396934
Substrate
n/a
Meas. Tech.
ChEMBL_862958 (CHEMBL2175022)
IC50
>30000±n/a nM
Citation
 Cui, JJ; McTigue, M; Nambu, M; Tran-Dubé, M; Pairish, M; Shen, H; Jia, L; Cheng, H; Hoffman, J; Le, P; Jalaie, M; Goetz, GH; Ryan, K; Grodsky, N; Deng, YL; Parker, M; Timofeevski, S; Murray, BW; Yamazaki, S; Aguirre, S; Li, Q; Zou, H; Christensen, J Discovery of a novel class of exquisitely selective mesenchymal-epithelial transition factor (c-MET) protein kinase inhibitors and identification of the clinical candidate 2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol (PF-04217903) for the treatment of J Med Chem 55:8091-109 (2012) [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:
BDBM50396934
Synonyms:
CHEMBL2001019 | CHEMBL2170804 | US9062045, Comparator No. 3 (PF-04217903)
Type:
Small organic molecule
Emp. Form.:
C19H16N8O
Mol. Mass.:
372.3833
SMILES:
OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
Structure:
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