Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM120086 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1469852 (CHEMBL3413963) |
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IC50 | >10000±n/a nM |
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Citation | Ren, L; Grina, J; Moreno, D; Blake, JF; Gaudino, JJ; Garrey, R; Metcalf, AT; Burkard, M; Martinson, M; Rasor, K; Chen, H; Dean, B; Gould, SE; Pacheco, P; Shahidi-Latham, S; Yin, J; West, K; Wang, W; Moffat, JG; Schwarz, JB Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2. J Med Chem58:1976-91 (2015) [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: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | 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
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM120086 |
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n/a |
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Name | BDBM120086 |
Synonyms: | US8697715, 1 | US9259470, 1 |
Type | Small organic molecule |
Emp. Form. | C22H22ClFN4O3 |
Mol. Mass. | 444.886 |
SMILES | OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r| |
Structure |
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