Reaction Details Report a problem with these data
Target
Cytochrome P450 2C11
Ligand
BDBM83388
Substrate
n/a
Meas. Tech.
ChEMBL_1328816 (CHEMBL3227400)
EC50
1160±n/a nM
Citation
 Englund, EE; Neumann, S; Eliseeva, E; McCoy, JG; Titus, S; Zheng, W; Southall, N; Shin, P; Leister, W; Thomas, CJ; Inglese, J; Austin, CP; Gershengorn, MC; Huang, W The Synthesis and Evaluation of Dihydroquinazolin-4-ones and Quinazolin-4-ones as Thyroid Stimulating Hormone Receptor Agonists. Medchemcomm 2:1016-1020 (2011) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C11
Synonyms:
CP2CB_RAT | Cyp2c | Cyp2c-11 | Cyp2c11
Type:
PROTEIN
Mol. Mass.:
57187.48
Organism:
Rattus norvegicus
Description:
ChEMBL_100121
Residue:
500
Sequence:
MDPVLVLVLTLSSLLLLSLWRQSFGRGKLPPGPTPLPIIGNTLQIYMKDIGQSIKKFSKVYGPIFTLYLGMKPFVVLHGYEAVKEALVDLGEEFSGRGSFPVSERVNKGLGVIFSNGMQWKEIRRFSIMTLRTFGMGKRTIEDRIQEEAQCLVEELRKSKGAPFDPTFILGCAPCNVICSIIFQNRFDYKDPTFLNLMHRFNENFRLFSSPWLQVCNTFPAIIDYFPGSHNQVLKNFFYIKNYVLEKVKEHQESLDKDNPRDFIDCFLNKMEQEKHNPQSEFTLESLVATVTDMFGAGTETTSTTLRYGLLLLLKHVDVTAKVQEEIERVIGRNRSPCMKDRSQMPYTDAVVHEIQRYIDLVPTNLPHLVTRDIKFRNYFIPKGTNVIVSLSSILHDDKEFPNPEKFDPGHFLDERGNFKKSDYFMPFSAGKRICAGEALARTELFLFFTTILQNFNLKSLVDVKDIDTTPAISGFGHLPPFYEACFIPVQRADSLSSHL
  
Inhibitor
Name:
BDBM83388
Synonyms:
MLS001073997 | N-[4-[5-[3-(2-furfuryl)-4-keto-1,2-dihydroquinazolin-2-yl]-2-methoxy-benzyl]oxyphenyl]acetamide | N-[4-[[5-[3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide | N-[4-[[5-[3-(furan-2-ylmethyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-methoxy-phenyl]methoxy]phenyl]ethanamide | N-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide | SMR000034463 | cid_661788
Type:
Small organic molecule
Emp. Form.:
C29H27N3O5
Mol. Mass.:
497.5418
SMILES:
COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2ccccc2C(=O)N1Cc1ccco1
Structure:
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