Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50248555
Substrate
n/a
Meas. Tech.
ChEMBL_566574 (CHEMBL964173)
IC50
>10000±n/a nM
Citation
 Troxler, T; Hurth, K; Mattes, H; Prashad, M; Schoeffter, P; Langenegger, D; Enz, A; Hoyer, D Discovery of novel non-peptidic beta-alanine piperazine amide derivatives and their optimization to achiral, easily accessible, potent and selective somatostatin sst1 receptor antagonists. Bioorg Med Chem Lett 19:1305-9 (2009) [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:
BDBM50248555
Synonyms:
3-((2-(9H-xanthen-9-yl)ethyl)(methyl)amino)-1-(4-(3,4-difluorophenyl)piperazin-1-yl)propan-1-one | CHEMBL460542
Type:
Small organic molecule
Emp. Form.:
C29H31F2N3O2
Mol. Mass.:
491.5721
SMILES:
CN(CCC1c2ccccc2Oc2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1
Structure:
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