Reaction Details |
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Target | Cytochrome P450 2C8 |
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Ligand | BDBM50528194 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1992478 (CHEMBL4626213) |
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IC50 | >30000±n/a nM |
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Citation | Smil, D; Wong, JF; Williams, EP; Adamson, RJ; Howarth, A; McLeod, DA; Mamai, A; Kim, S; Wilson, BJ; Kiyota, T; Aman, A; Owen, J; Poda, G; Horiuchi, KY; Kuznetsova, E; Ma, H; Hamblin, JN; Cramp, S; Roberts, OG; Edwards, AM; Uehling, D; Al-Awar, R; Bullock, AN; O'Meara, JA; Isaac, MB Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma. J Med Chem63:10061-10085 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2C8 |
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Name: | Cytochrome P450 2C8 |
Synonyms: | CP2C8_HUMAN | CYP2C8 | CYPIIC8 | Cytochrome P450 2C8 (CYP2C8) | P450 IIC2 | P450 MP-12/MP-20 | P450 form 1 | S-mephenytoin 4-hydroxylase |
Type: | Protein |
Mol. Mass.: | 55839.23 |
Organism: | Homo sapiens (Human) |
Description: | P10632 |
Residue: | 490 |
Sequence: | MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKV
YGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRW
KEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICS
VVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALT
RSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTE
TTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSD
LVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFK
KSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLP
PSYQICFIPV
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BDBM50528194 |
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n/a |
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Name | BDBM50528194 |
Synonyms: | CHEMBL4517408 |
Type | Small organic molecule |
Emp. Form. | C25H29N3O3 |
Mol. Mass. | 419.5161 |
SMILES | COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1 |
Structure |
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