Reaction Details  Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50517552
Substrate
n/a
Meas. Tech.
ChEMBL_1869294 (CHEMBL4370360)
IC50
>30000±n/a nM
Citation
 Scott, JS; Bailey, A; Buttar, D; Carbajo, RJ; Curwen, J; Davey, PRJ; Davies, RDM; Degorce, SL; Donald, C; Gangl, E; Greenwood, R; Groombridge, SD; Johnson, T; Lamont, S; Lawson, M; Lister, A; Morrow, CJ; Moss, TA; Pink, JH; Polanski, R Tricyclic Indazoles-A Novel Class of Selective Estrogen Receptor Degrader Antagonists. J Med Chem 62:1593-1608 (2019) [PubMed]  Article
Target
Name:
Cytochrome P450 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM50517552
Synonyms:
CHEMBL4517931
Type:
Small organic molecule
Emp. Form.:
C24H25F2N3O3
Mol. Mass.:
441.4704
SMILES:
COc1cc(\C=C\C(O)=O)ccc1[C@H]1N(CC(C)(F)F)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
Structure:
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