Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50089916
Substrate
n/a
Meas. Tech.
ChEMBL_1761166 (CHEMBL4196413)
IC50
77800±n/a nM
Citation
 Linciano, P; Moraes, CB; Alcantara, LM; Franco, CH; Pascoalino, B; Freitas-Junior, LH; Macedo, S; Santarem, N; Cordeiro-da-Silva, A; Gul, S; Witt, G; Kuzikov, M; Ellinger, B; Ferrari, S; Luciani, R; Quotadamo, A; Costantino, L; Costi, MP Aryl thiosemicarbazones for the treatment of trypanosomatidic infections. Eur J Med Chem 146:423-434 (2018) [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:
BDBM50089916
Synonyms:
BENZONIDAZOLE | Benznidazole | CHEMBL110 | N-Benzyl-2-(2-nitro-imidazol-1-yl)-acetamide | N-Benzyl-2-(2-nitro-imidazol-1-yl)-acetamide (Benznidazole) | N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide | N-benzyl-2-(2-nitro-1H-imidazol-5-yl)acetamide | N-benzyl-2-(2-nitro-1Himidazol-1-yl)acetamide | N-benzyl-2-nitro-1-imidazoleacetamide | benznidazol
Type:
Small organic molecule
Emp. Form.:
C12H12N4O3
Mol. Mass.:
260.2487
SMILES:
[O-][N+](=O)c1nccn1CC(=O)NCc1ccccc1
Structure:
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