Reaction Details  Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50341080
Substrate
n/a
Meas. Tech.
ChEMBL_740077 (CHEMBL1763137)
IC50
21000±n/a nM
Citation
 Hoveyda, HR; Roy, MO; Blanc, S; Noël, S; Salvino, JM; Ator, MA; Fraser, G Discovery of 3-aryl-5-acylpiperazinyl-pyrazoles as antagonists to the NK3 receptor. Bioorg Med Chem Lett 21:1991-6 (2011) [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:
BDBM50341080
Synonyms:
(3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone | CHEMBL1760205
Type:
Small organic molecule
Emp. Form.:
C22H23ClN4O2
Mol. Mass.:
410.897
SMILES:
COc1ccccc1N1CCN(CC1)C(=O)c1cc(nn1C)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: