Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM520995
Substrate
n/a
Meas. Tech.
ChEMBL_2017918 (CHEMBL4671496)
IC50
>20000±n/a nM
Citation
 Beck, H; Thaler, T; Meibom, D; Meininghaus, M; Jörißen, H; Dietz, L; Terjung, C; Bairlein, M; von Bühler, CJ; Anlauf, S; Fürstner, C; Stellfeld, T; Schneider, D; Gericke, KM; Buyck, T; Lovis, K; Münster, U; Anlahr, J; Kersten, E; Levilain, G; Marossek, V; Kast, R Potent and Selective Human Prostaglandin F (FP) Receptor Antagonist (BAY-6672) for the Treatment of Idiopathic Pulmonary Fibrosis (IPF). J Med Chem 63:11639-11662 (2020) [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:
BDBM520995
Synonyms:
(+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]quinolin-4-yl}carbonyl)amino]-4-(2-chlorophenyl)pentanoic acid (Enantiomer 1) | US11149018, Example 275
Type:
Small organic molecule
Emp. Form.:
C26H27BrClN3O3
Mol. Mass.:
544.868
SMILES:
Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1ccccc1Cl)N1CCCC1 |r|
Structure:
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