Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50174022
Substrate
n/a
Meas. Tech.
ChEMBL_462185 (CHEMBL945013)
IC50
200±n/a nM
Citation
Gallant, M; Chauret, N; Claveau, D; Day, S; Deschênes, D; Dubé, D; Huang, Z; Lacombe, P; Laliberté, F; Lévesque, JF; Liu, S; Macdonald, D; Mancini, J; Masson, P; Mastracchio, A; Nicholson, D; Nicoll-Griffith, DA; Perrier, H; Salem, M; Styhler, A; Young, RN; Girard, Y Design, synthesis, and biological evaluation of 8-biarylquinolines: a novel class of PDE4 inhibitors. Bioorg Med Chem Lett 18:1407-12 (2008) [PubMed] Article
More Info.:
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:
BDBM50174022
Synonyms:
(E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)vinyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline | 8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)vinyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline | 8-(3-methoxyphenyl)-6-(pyridin-4-ylmethyl)quinoline | CHEMBL372575 | L-454560
Type:
Small organic molecule
Emp. Form.:
C31H29N3O5S2
Mol. Mass.:
587.709
SMILES:
Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O