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Target
Cytochrome P450 1A2
Ligand
BDBM50184418
Substrate
n/a
Meas. Tech.
ChEMBL_1586976 (CHEMBL3825110)
IC50
>10000±n/a nM
Citation
 Gardinier, KM; Gernert, DL; Porter, WJ; Reel, JK; Ornstein, PL; Spinazze, P; Stevens, FC; Hahn, P; Hollinshead, SP; Mayhugh, D; Schkeryantz, J; Khilevich, A; De Frutos, O; Gleason, SD; Kato, AS; Luffer-Atlas, D; Desai, PV; Swanson, S; Burris, KD; Ding, C; Heinz, BA; Need, AB; Barth, VN; Stephenson, GA; Diseroad, BA; Woods, TA; Yu, H; Bredt, D; Witkin, JM Discovery of the Firsta-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Antagonist Dependent upon Transmembrane AMPA Receptor Regulatory Protein (TARP)¿-8. J Med Chem 59:4753-68 (2016) [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:
BDBM50184418
Synonyms:
CHEMBL3822572
Type:
Small organic molecule
Emp. Form.:
C20H17N7S
Mol. Mass.:
387.461
SMILES:
Cn1ccc(CN(c2nc(cs2)-c2ccccn2)c2ccc3[nH]ncc3c2)n1
Structure:
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