Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50525867
Substrate
n/a
Meas. Tech.
ChEMBL_1898346 (CHEMBL4400381)
IC50
>18000±n/a nM
Citation
 Meng, W; Adam, LP; Behnia, K; Zhao, L; Yang, R; Kopcho, LM; Locke, GA; Taylor, DS; Yin, X; Wexler, RR; Finlay, H Benzothiazole-based compounds as potent endothelial lipase inhibitors. Bioorg Med Chem Lett 29:0 (2019) [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:
BDBM50525867
Synonyms:
CHEMBL4557424
Type:
Small organic molecule
Emp. Form.:
C24H23N5O3S
Mol. Mass.:
461.536
SMILES:
CN(C)C(=O)c1cccc(c1)-c1ccc2nc(sc2c1)C(C#N)C(=O)NCC(=O)NC1CC1
Structure:
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