Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50071000
Substrate
n/a
Meas. Tech.
ChEBML_141772
IC50
17±n/a nM
Citation
Elliott, JM; Broughton, H; Cascieri, MA; Chicchi, G; Huscroft, IT; Kurtz, M; MacLeod, AM; Sadowski, S; Stevenson, GI Serine derived NK1 antagonists. 2: A pharmacophore model for arylsulfonamide binding. Bioorg Med Chem Lett 8:1851-6 (1999) [PubMed] Article
More Info.:
Target
Name:
Substance-P receptor
Synonyms:
NK-1 receptor | NK-1R | NK1 Receptor | NK1R | NK1R_HUMAN | Neurokinin 1 receptor | Neurokinin-1 (NK-1) | Neuromedin-1 receptor (NK-1R) | SPR | TAC1R | TACR1 | Tachykinin receptor 1 | Tachykinin receptor 1 (NK1) | tachykinin
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
46254.43
Organism:
Homo sapiens (Human)
Description:
P25103
Residue:
407
Sequence:
MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
Inhibitor
Name:
BDBM50071000
Synonyms:
CHEMBL405820 | N-(2-{1-[(S)-2-Benzylamino-3-(3,4-dichloro-benzyloxy)-propionyl]-piperidin-4-yl}-phenyl)-methanesulfonamide
Type:
Small organic molecule
Emp. Form.:
C29H33Cl2N3O4S
Mol. Mass.:
590.561
SMILES:
CS(=O)(=O)Nc1ccccc1C1CCN(CC1)C(=O)[C@H](COCc1ccc(Cl)c(Cl)c1)NCc1ccccc1