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Target
Cytochrome P450 1A2
Ligand
BDBM50448118
Substrate
n/a
Meas. Tech.
ChEMBL_1291757 (CHEMBL3124048)
IC50
700±n/a nM
Citation
 Estrada, AA; Chan, BK; Baker-Glenn, C; Beresford, A; Burdick, DJ; Chambers, M; Chen, H; Dominguez, SL; Dotson, J; Drummond, J; Flagella, M; Fuji, R; Gill, A; Halladay, J; Harris, SF; Heffron, TP; Kleinheinz, T; Lee, DW; Le Pichon, CE; Liu, X; Lyssikatos, JP; Medhurst, AD; Moffat, JG; Nash, K; Scearce-Levie, K; Sheng, Z; Shore, DG; Wong, S; Zhang, S; Zhang, X; Zhu, H; Sweeney, ZK Discovery of highly potent, selective, and brain-penetrant aminopyrazole leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitors. J Med Chem 57:921-36 (2014) [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:
BDBM50448118
Synonyms:
CHEMBL3122113 | US10590114, No. 80 | US11111235, No. 80 | US11591316, Compound 80 | US9932325, Example 80
Type:
Small organic molecule
Emp. Form.:
C14H16F3N7
Mol. Mass.:
339.3189
SMILES:
CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
Structure:
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