| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
|---|
| Ligand | BDBM50292978 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_495126 (CHEMBL1008905) |
|---|
| IC50 | 34000±n/a nM |
|---|
| Citation |  Westaway, SM; Brown, SL; Fell, SC; Johnson, CN; MacPherson, DT; Mitchell, DJ; Myatt, JW; Stanway, SJ; Seal, JT; Stemp, G; Thompson, M; Lawless, K; McKay, F; Muir, AI; Barford, JM; Cluff, C; Mahmood, SR; Matthews, KL; Mohamed, S; Smith, B; Stevens, AJ; Bolton, VJ; Jarvie, EM; Sanger, GJ Discovery of N-(3-fluorophenyl)-1-[(4-([(3S)-3-methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinamine (GSK962040), the first small molecule motilin receptor agonist clinical candidate. J Med Chem52:1180-9 (2009) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cytochrome P450 2D6 |
|---|
| Name: | Cytochrome P450 2D6 |
|---|
| Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 55774.82 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P10635 |
|---|
| Residue: | 497 |
|---|
| Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
|
|
|
|---|
| BDBM50292978 |
|---|
| n/a |
|---|
| Name | BDBM50292978 |
|---|
| Synonyms: | CHEMBL489095 | GSK-962040 | N-(3-Fluorophenyl)-1-[(4-([(3S)-3-methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinamine |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C25H33FN4O |
|---|
| Mol. Mass. | 424.5541 |
|---|
| SMILES | C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
