Ki Summary

Reaction Details

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Target

Cytochrome P450 2C9

Ligand

BDBM50385398

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_822976 (CHEMBL2038297)

IC50

>30000±n/a nM

Citation

McCoull, W; Addie, MS; Birch, AM; Birtles, S; Buckett, LK; Butlin, RJ; Bowker, SS; Boyd, S; Chapman, S; Davies, RD; Donald, CS; Green, CP; Jenner, C; Kemmitt, PD; Leach, AG; Moody, GC; Gutierrez, PM; Newcombe, NJ; Nowak, T; Packer, MJ; Plowright, AT; Revill, J; Schofield, P; Sheldon, C; Stokes, S; Turnbull, AV; Wang, SJ; Whalley, DP; Wood, JM Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes. Bioorg Med Chem Lett22:3873-8 (2012) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cytochrome P450 2C9

Name:

Cytochrome P450 2C9

Synonyms:

Type:

Enzyme

Mol. Mass.:

55636.33

Organism:

Homo sapiens (Human)

Description:

P11712

Residue:

490

Sequence:

MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV

BDBM50385398

n/a

Name

BDBM50385398

Synonyms:

CHEMBL2036730

Type

Small organic molecule

Emp. Form.

C23H22F2N4O4

Mol. Mass.

456.442

SMILES

OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)|

Structure