Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50336738 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_718343 (CHEMBL1679763) |
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IC50 | 4500±n/a nM |
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Citation | Patch, RJ; Searle, LL; Kim, AJ; De, D; Zhu, X; Askari, HB; O'Neill, JC; Abad, MC; Rentzeperis, D; Liu, J; Kemmerer, M; Lin, L; Kasturi, J; Geisler, JG; Lenhard, JM; Player, MR; Gaul, MD Identification of diaryl ether-based ligands for estrogen-related receptora as potential antidiabetic agents. J Med Chem54:788-808 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 3A4 |
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Name: | Cytochrome P450 3A4 |
Synonyms: | Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase |
Type: | Enzyme |
Mol. Mass.: | 57349.57 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 503 |
Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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BDBM50336738 |
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n/a |
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Name | BDBM50336738 |
Synonyms: | 4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-methoxyphenoxy]-naphthalene-1-carbonitrile | CHEMBL1671981 |
Type | Small organic molecule |
Emp. Form. | C22H14N2O4S |
Mol. Mass. | 402.423 |
SMILES | COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c2ccccc12 |w:5.4,c:9| |
Structure |
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