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Target
Cytochrome P450 1A2
Ligand
BDBM50313668
Substrate
n/a
Meas. Tech.
ChEMBL_624622 (CHEMBL1111582)
IC50
830±n/a nM
Citation
 Lesuisse, D; Tiraboschi, G; Krick, A; Abecassis, PY; Dutruc-Rosset, G; Babin, D; Halley, F; Châtreau, F; Lachaud, S; Chevalier, A; Quarteronet, D; Burgevin, MC; Amara, C; Bertrand, P; Rooney, T Design of potent and selective GSK3beta inhibitors with acceptable safety profile and pharmacokinetics. Bioorg Med Chem Lett 20:2344-9 (2010) [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:
BDBM50313668
Synonyms:
CHEMBL1091082 | N-(6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl)butyramide
Type:
Small organic molecule
Emp. Form.:
C17H15ClFN3O
Mol. Mass.:
331.772
SMILES:
CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccc(F)cc1
Structure:
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