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Target
Cytochrome P450 2D6
Ligand
BDBM50252775
Substrate
n/a
Meas. Tech.
ChEMBL_539795 (CHEMBL1035788)
IC50
>25000±n/a nM
Citation
 Pettus, LH; Xu, S; Cao, GQ; Chakrabarti, PP; Rzasa, RM; Sham, K; Wurz, RP; Zhang, D; Middleton, S; Henkle, B; Plant, MH; Saris, CJ; Sherman, L; Wong, LM; Powers, DA; Tudor, Y; Yu, V; Lee, MR; Syed, R; Hsieh, F; Tasker, AS 3-amino-7-phthalazinylbenzoisoxazoles as a novel class of potent, selective, and orally available inhibitors of p38alpha mitogen-activated protein kinase. J Med Chem 51:6280-92 (2008) [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:
BDBM50252775
Synonyms:
6-(3-(cyclopropylamino)-6-methylbenzo[d]isoxazol-7-yl)-N-isopropylphthalazin-1-amine | CHEMBL495492
Type:
Small organic molecule
Emp. Form.:
C22H23N5O
Mol. Mass.:
373.4509
SMILES:
CC(C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
Structure:
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