Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50041983
Substrate
n/a
Meas. Tech.
ChEMBL_1443697 (CHEMBL3380170)
IC50
>50000±n/a nM
Citation
 Buzard, DJ; Lopez, L; Moody, J; Kawasaki, A; Schrader, TO; Kasem, M; Johnson, B; Zhu, X; Thoresen, L; Kim, SH; Gharbaoui, T; Sengupta, D; Calvano, L; Krishnan, A; Gao, Y; Semple, G; Edwards, J; Barden, J; Morgan, M; Usmani, K; Chen, C; Sadeque, A; Chen, W; Christopher, RJ; Thatte, J; Fu, L; Solomon, M; Whelan, K; Al-Shamma, H; Gatlin, J; Gaidarov, I; Anthony, T; Le, M; Unett, DJ; Stirn, S; Blackburn, A; Behan, DP; Jones, RM (7-Benzyloxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acids as S1P1 Functional Antagonists. ACS Med Chem Lett 5:1334-9 (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:
BDBM50041983
Synonyms:
CHEMBL3359523
Type:
Small organic molecule
Emp. Form.:
C24H23ClF3NO4
Mol. Mass.:
481.892
SMILES:
CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F |r|
Structure:
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