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Target
Cytochrome P450 1A1
Ligand
BDBM50014323
Substrate
n/a
Meas. Tech.
ChEMBL_1659861 (CHEMBL4009473)
IC50
10±n/a nM
Citation
 Horley, NJ; Beresford, KJ; Chawla, T; McCann, GJ; Ruparelia, KC; Gatchie, L; Sonawane, VR; Williams, IS; Tan, HL; Joshi, P; Bharate, SS; Kumar, V; Bharate, SB; Chaudhuri, B Discovery and characterization of novel CYP1B1 inhibitors based on heterocyclic chalcones: Overcoming cisplatin resistance in CYP1B1-overexpressing lines. Eur J Med Chem 129:159-174 (2017) [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:
BDBM50014323
Synonyms:
2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo[h]chromen-4-one | 7,8-Benzoflavone | CHEMBL283196 | alpha-naphthoflavone
Type:
Small organic molecule
Emp. Form.:
C19H12O2
Mol. Mass.:
272.2974
SMILES:
O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: