Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50417192
Substrate
n/a
Meas. Tech.
ChEMBL_675695 (CHEMBL1274056)
Ki
1995.26±n/a nM
Citation
 Li, YH; Tseng, PS; Evans, KA; Jaworski, JP; Morrow, DM; Fries, HE; Wu, CW; Edwards, RM; Jin, J 3-Urea-1-(phenylmethyl)-pyridones as novel, potent, and selective EP3 receptor antagonists. Bioorg Med Chem Lett 20:6744-7 (2010) [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:
BDBM50417192
Synonyms:
CHEMBL1271476
Type:
Small organic molecule
Emp. Form.:
C21H20ClN3O2
Mol. Mass.:
381.855
SMILES:
CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
Structure:
Search PDB for entries with ligand similarity: