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Target
Cytochrome P450 2C9
Ligand
BDBM50348879
Substrate
n/a
Meas. Tech.
ChEMBL_758413 (CHEMBL1811279)
IC50
350±n/a nM
Citation
 Dyckman, AJ; Li, T; Pitt, S; Zhang, R; Shen, DR; McIntyre, KW; Gillooly, KM; Shuster, DJ; Doweyko, AM; Sack, JS; Kish, K; Kiefer, SE; Newitt, JA; Zhang, H; Marathe, PH; McKinnon, M; Barrish, JC; Dodd, JH; Schieven, GL; Leftheris, K Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38a MAP kinase inhibitors. Bioorg Med Chem Lett 21:4633-7 (2011) [PubMed]  Article
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50348879
Synonyms:
CHEMBL1807440
Type:
Small organic molecule
Emp. Form.:
C32H29FN6O3
Mol. Mass.:
564.6095
SMILES:
Cc1c(cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c12)C(=O)c1ccccc1
Structure:
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