Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50201902
Substrate
n/a
Meas. Tech.
ChEMBL_423307 (CHEMBL909369)
IC50
4000±n/a nM
Citation
 Kaila, N; Janz, K; DeBernardo, S; Bedard, PW; Camphausen, RT; Tam, S; Tsao, DH; Keith, JC; Nickerson-Nutter, C; Shilling, A; Young-Sciame, R; Wang, Q Synthesis and biological evaluation of quinoline salicylic acids as P-selectin antagonists. J Med Chem 50:21-39 (2007) [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:
BDBM50201902
Synonyms:
2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline-4-carboxylicacid | CHEMBL267210
Type:
Small organic molecule
Emp. Form.:
C18H14ClNO3
Mol. Mass.:
327.762
SMILES:
Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1
Structure:
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