Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM211750
Substrate
n/a
Meas. Tech.
Cytochrome P450 2C9 Inhibition Assay (Diclofenac)
Temperature
310.15±n/a K
IC50
>50000±n/a nM
Comments
extracted
Citation
 Gnamm, C; Oost, T; Peters, S; Hoesch, H; Ries, UJ Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity US Patent  US9290459 Publication Date 3/22/2016 
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:
BDBM211750
Synonyms:
US9290459, 7.2A | US9670166, 7.2A
Type:
Small organic molecule
Emp. Form.:
C24H19F3N4O4
Mol. Mass.:
484.4273
SMILES:
OCCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:8|
Structure:
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