Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50149566 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1558264 (CHEMBL3772398) |
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IC50 | >50000±n/a nM |
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Citation | Demont, EH; Bailey, JM; Bit, RA; Brown, JA; Campbell, CA; Deeks, N; Dowell, SJ; Eldred, C; Gaskin, P; Gray, JR; Haynes, A; Hirst, DJ; Holmes, DS; Kumar, U; Morse, MA; Osborne, GJ; Renaux, JF; Seal, GA; Smethurst, CA; Taylor, S; Watson, R; Willis, R; Witherington, J Discovery of Tetrahydropyrazolopyridine as Sphingosine 1-Phosphate Receptor 3 (S1P3)-Sparing S1P1 Agonists Active at Low Oral Doses. J Med Chem59:1003-20 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2C19 |
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Name: | Cytochrome P450 2C19 |
Synonyms: | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Mephenytoin 4-hydroxylase | P450-11A | P450-254C |
Type: | Enzyme |
Mol. Mass.: | 55935.47 |
Organism: | Homo sapiens (Human) |
Description: | P33261 |
Residue: | 490 |
Sequence: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50149566 |
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n/a |
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Name | BDBM50149566 |
Synonyms: | CHEMBL3769933 |
Type | Small organic molecule |
Emp. Form. | C21H24ClN5O3S |
Mol. Mass. | 461.965 |
SMILES | CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C |
Structure |
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