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Target
Cytochrome P450 1A2
Ligand
BDBM186216
Substrate
n/a
Meas. Tech.
ChEMBL_1776483 (CHEMBL4233475)
IC50
<100±n/a nM
Citation
 Engers, DW; Bollinger, SR; Engers, JL; Panarese, JD; Breiner, MM; Gregro, A; Blobaum, AL; Bronson, JJ; Wu, YJ; Macor, JE; Rodriguez, AL; Zamorano, R; Conn, PJ; Lindsley, CW; Niswender, CM; Hopkins, CR Discovery and characterization of N-(1,3-dialkyl-1H-indazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine scaffold as mGlu Bioorg Med Chem Lett 28:2641-2646 (2018) [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:
BDBM186216
Synonyms:
US9163015, 2
Type:
Small organic molecule
Emp. Form.:
C12H8ClFN4
Mol. Mass.:
262.67
SMILES:
Fc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
Structure:
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