| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 2C19 |
|---|
| Ligand | BDBM50327009 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_663502 (CHEMBL1251101) |
|---|
| IC50 | >40000±n/a nM |
|---|
| Citation |  Liu, C; Lin, J; Wrobleski, ST; Lin, S; Hynes, J; Wu, H; Dyckman, AJ; Li, T; Wityak, J; Gillooly, KM; Pitt, S; Shen, DR; Zhang, RF; McIntyre, KW; Salter-Cid, L; Shuster, DJ; Zhang, H; Marathe, PH; Doweyko, AM; Sack, JS; Kiefer, SE; Kish, KF; Newitt, JA; McKinnon, M; Dodd, JH; Barrish, JC; Schieven, GL; Leftheris, K Discovery of 4-(5-(cyclopropylcarbamoyl)-2-methylphenylamino)-5-methyl-N-propylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide (BMS-582949), a clinical p38a MAP kinase inhibitor for the treatment of inflammatory diseases. J Med Chem53:6629-39 (2010) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cytochrome P450 2C19 |
|---|
| 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
|
|
|
|---|
| BDBM50327009 |
|---|
| n/a |
|---|
| Name | BDBM50327009 |
|---|
| Synonyms: | 4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5-methyl-N-propylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide | 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | CHEMBL1230065 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C22H26N6O2 |
|---|
| Mol. Mass. | 406.4808 |
|---|
| SMILES | CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C |
|---|
| Structure | 
|
|---|
Search and Browse
