| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C19 |
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| Ligand | BDBM50358591 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_789257 (CHEMBL1924382) |
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| IC50 | >40000±n/a nM |
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| Citation |  Watterson, SH; Langevine, CM; Van Kirk, K; Kempson, J; Guo, J; Spergel, SH; Das, J; Moquin, RV; Dyckman, AJ; Nirschl, D; Gregor, K; Pattoli, MA; Yang, X; McIntyre, KW; Yang, G; Galella, MA; Booth-Lute, H; Chen, L; Yang, Z; Wang-Iverson, D; McKinnon, M; Dodd, JH; Barrish, JC; Burke, JR; Pitts, WJ Novel tricyclic inhibitors of IKK2: discovery and SAR leading to the identification of 2-methoxy-N-((6-(1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl)pyridin-2-yl)methyl)acetamide (BMS-066). Bioorg Med Chem Lett21:7006-12 (2011) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 55935.47 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P33261 |
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| Residue: | 490 |
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| Sequence: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50358591 |
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| n/a |
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| Name | BDBM50358591 |
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| Synonyms: | CHEMBL1923983 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H21N7O2 |
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| Mol. Mass. | 379.4157 |
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| SMILES | CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)COC)n1 |
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| Structure | 
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