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Target
Cytochrome P450 2D6
Ligand
BDBM50194715
Substrate
n/a
Meas. Tech.
ChEMBL_1926342 (CHEMBL4429414)
IC50
>40000±n/a nM
Citation
 De Lucca, GV; Shi, Q; Liu, Q; Batt, DG; Beaudoin Bertrand, M; Rampulla, R; Mathur, A; Discenza, L; D'Arienzo, C; Dai, J; Obermeier, M; Vickery, R; Zhang, Y; Yang, Z; Marathe, P; Tebben, AJ; Muckelbauer, JK; Chang, CJ; Zhang, H; Gillooly, K; Taylor, T; Pattoli, MA; Skala, S; Kukral, DW; McIntyre, KW; Salter-Cid, L; Fura, A; Burke, JR; Barrish, JC; Carter, PH; Tino, JA Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177). J Med Chem 59:7915-35 (2016) [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:
BDBM50194715
Synonyms:
CHEMBL3918580
Type:
Small organic molecule
Emp. Form.:
C31H26N4O3
Mol. Mass.:
502.5631
SMILES:
Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O
Structure:
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