Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50311414
Substrate
n/a
Meas. Tech.
ChEMBL_622573 (CHEMBL1109285)
IC50
200±n/a nM
Citation
Bailey, JM; Scott, JS; Basilla, JB; Bolton, VJ; Boyfield, I; Evans, DG; Fleury, E; Heightman, TD; Jarvie, EM; Lawless, K; Matthews, KL; McKay, F; Mok, H; Muir, A; Orlek, BS; Sanger, GJ; Stemp, G; Stevens, AJ; Thompson, M; Ward, J; Vaidya, K; Westaway, SM The discovery and optimisation of benzazepine sulfonamide and sulfones as potent agonists of the motilin receptor. Bioorg Med Chem Lett 19:6452-8 (2009) [PubMed] Article
More Info.:
Target
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:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
Inhibitor
Name:
BDBM50311414
Synonyms:
CHEMBL1078492 | N-(3-((1H-pyrazol-3-yl)methyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-5-(pyridin-2-yl)thiophene-2-sulfonamide
Type:
Small organic molecule
Emp. Form.:
C23H23N5O2S2
Mol. Mass.:
465.591
SMILES:
O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(s1)-c1ccccn1