Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM155928
Substrate
n/a
Meas. Tech.
ChEMBL_1515526 (CHEMBL3615707)
IC50
>50000±n/a nM
Citation
 Walsh, SP; Shahripour, A; Tang, H; Teumelsan, N; Frie, J; Zhu, Y; Priest, BT; Swensen, AM; Liu, J; Margulis, M; Visconti, R; Weinglass, A; Felix, JP; Brochu, RM; Bailey, T; Thomas-Fowlkes, B; Alonso-Galicia, M; Zhou, X; Pai, LY; Corona, A; Hampton, C; Hernandez, M; Bentley, R; Chen, J; Shah, K; Metzger, J; Forrest, M; Owens, K; Tong, V; Ha, S; Roy, S; Kaczorowski, GJ; Yang, L; Parmee, E; Garcia, ML; Sullivan, K; Pasternak, A Discovery of a Potent and Selective ROMK Inhibitor with Pharmacokinetic Properties Suitable for Preclinical Evaluation. ACS Med Chem Lett 6:747-52 (2015) [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:
BDBM155928
Synonyms:
US9018211, 52
Type:
Small organic molecule
Emp. Form.:
C24H28N4O5
Mol. Mass.:
452.5029
SMILES:
COc1cc(ncc1C#N)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Structure:
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