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Target
Cytochrome P450 1A2
Ligand
BDBM50156671
Substrate
n/a
Meas. Tech.
ChEMBL_1570735 (CHEMBL3795103)
IC50
>40000±n/a nM
Citation
 Guo, J; Watterson, SH; Spergel, SH; Kempson, J; Langevine, CM; Shen, DR; Yarde, M; Cvijic, ME; Banas, D; Liu, R; Suchard, SJ; Gillooly, K; Taylor, T; Rex-Rabe, S; Shuster, DJ; McIntyre, KW; Cornelius, G; D'Arienzo, C; Marino, A; Balimane, P; Salter-Cid, L; McKinnon, M; Barrish, JC; Carter, PH; Pitts, WJ; Xie, J; Dyckman, AJ Identification and synthesis of potent and selective pyridyl-isoxazole based agonists of sphingosine-1-phosphate 1 (S1P1). Bioorg Med Chem Lett 26:2470-4 (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:
BDBM50156671
Synonyms:
CHEMBL3794145
Type:
Small organic molecule
Emp. Form.:
C22H16F3N5O4
Mol. Mass.:
471.3887
SMILES:
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1
Structure:
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