Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50444437
Substrate
n/a
Meas. Tech.
ChEMBL_1280459 (CHEMBL3095953)
IC50
>10000±n/a nM
Citation
 Atobe, M; Naganuma, K; Kawanishi, M; Morimoto, A; Kasahara, K; Ohashi, S; Suzuki, H; Hayashi, T; Miyoshi, S SAR-based optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as highly potent EP1 receptor antagonists. Bioorg Med Chem Lett 23:6569-76 (2013) [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:
BDBM50444437
Synonyms:
CHEMBL3092130
Type:
Small organic molecule
Emp. Form.:
C19H14N4O2S
Mol. Mass.:
362.405
SMILES:
Nc1c(nn(-c2nc(cs2)C(O)=O)c1-c1ccccc1)-c1ccccc1
Structure:
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