Reaction Details  Report a problem with these data
Target
Cytochrome P450 1A1
Ligand
BDBM50504687
Substrate
n/a
Meas. Tech.
ChEMBL_1816088 (CHEMBL4315662)
IC50
2600±n/a nM
Citation
 Grau, L; Romero, M; Privat-Contreras, C; Presa, D; Viņas, M; Morral, J; Pors, K; Rubio-Martinez, J; Pujol, MD Multigram scale synthesis of polycyclic lactones and evaluation of antitumor and other biological properties. Eur J Med Chem 185:0 (2020) [PubMed]  Article
Target
Name:
Cytochrome P450 1A1
Synonyms:
CP1A1_HUMAN | CYP1A1 | CYPIA1 | Cytochrome P450 1A | Cytochrome P450 1A1 | Cytochrome P450 1A1 (CYP1A1) | P450 form 6 | P450-C | P450-P1
Type:
Protein
Mol. Mass.:
58177.23
Organism:
Homo sapiens (Human)
Description:
P04798
Residue:
512
Sequence:
MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPHLALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQSMSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAGPGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPILRYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANVQLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLSDRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKLWVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEFSVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS
  
Inhibitor
Name:
BDBM50504687
Synonyms:
CHEMBL387144
Type:
Small organic molecule
Emp. Form.:
C21H22O4
Mol. Mass.:
338.397
SMILES:
CCCCCCc1c2C(=O)OCc2c(C)c2Oc3ccccc3Oc12
Structure:
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