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Target
Cytochrome P450 1A2
Ligand
BDBM50462749
Substrate
n/a
Meas. Tech.
ChEMBL_1776483 (CHEMBL4233475)
IC50
2600±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:
BDBM50462749
Synonyms:
CHEMBL4241489
Type:
Small organic molecule
Emp. Form.:
C17H16N6
Mol. Mass.:
304.3491
SMILES:
Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4ncccc34)cc12
Structure:
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