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Target
Cytochrome P450 2D6
Ligand
BDBM50239718
Substrate
n/a
Meas. Tech.
ChEMBL_1666756 (CHEMBL4016552)
IC50
>20000±n/a nM
Citation
 Liu, Q; Shi, Q; Marcoux, D; Batt, DG; Cornelius, L; Qin, LY; Ruan, Z; Neels, J; Beaudoin-Bertrand, M; Srivastava, AS; Li, L; Cherney, RJ; Gong, H; Watterson, SH; Weigelt, C; Gillooly, KM; McIntyre, KW; Xie, JH; Obermeier, MT; Fura, A; Sleczka, B; Stefanski, K; Fancher, RM; Padmanabhan, S; Rp, T; Kundu, I; Rajareddy, K; Smith, R; Hennan, JK; Xing, D; Fan, J; Levesque, PC; Ruan, Q; Pitt, S; Zhang, R; Pedicord, D; Pan, J; Yarde, M; Lu, H; Lippy, J; Goldstine, C; Skala, S; Rampulla, RA; Mathur, A; Gupta, A; Arunachalam, PN; Sack, JS; Muckelbauer, JK; Cvijic, ME; Salter-Cid, LM; Bhide, RS; Poss, MA; Hynes, J; Carter, PH; Macor, JE; Ruepp, S; Schieven, GL; Tino, JA Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase? (PI3K?) Inhibitor for the Treatment of Immunological Disorders. J Med Chem 60:5193-5208 (2017) [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:
BDBM50239718
Synonyms:
CHEMBL4064666 | US10214537, Example 639
Type:
Small organic molecule
Emp. Form.:
C22H20F3N7O2
Mol. Mass.:
471.4351
SMILES:
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
Structure:
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