| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 2C19 |
|---|
| Ligand | BDBM50347384 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_755385 (CHEMBL1804701) |
|---|
| IC50 | 50000±n/a nM |
|---|
| Citation |  Moffat, D; Patel, S; Day, F; Belfield, A; Donald, A; Rowlands, M; Wibawa, J; Brotherton, D; Stimson, L; Clark, V; Owen, J; Bawden, L; Box, G; Bone, E; Mortenson, P; Hardcastle, A; van Meurs, S; Eccles, S; Raynaud, F; Aherne, W Discovery of 2-(6-{[(6-fluoroquinolin-2-yl)methyl]amino}bicyclo[3.1.0]hex-3-yl)-N-hydroxypyrimidine-5-carboxamide (CHR-3996), a class I selective orally active histone deacetylase inhibitor. J Med Chem53:8663-78 (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
|
|
|
|---|
| BDBM50347384 |
|---|
| n/a |
|---|
| Name | BDBM50347384 |
|---|
| Synonyms: | CHEMBL1801238 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C17H18ClN5O2 |
|---|
| Mol. Mass. | 359.81 |
|---|
| SMILES | ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
