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Target
Substance-P receptor
Ligand
BDBM50437205
Substrate
n/a
Meas. Tech.
ChEMBL_969717 (CHEMBL2403945)
IC50
0.750000±n/a nM
Citation
 Kassick, AJ; Jiang, J; Bunda, J; Wilson, D; Bao, J; Lu, H; Lin, P; Ball, RG; Doss, GA; Tong, X; Tsao, KL; Wang, H; Chicchi, G; Karanam, B; Tschirret-Guth, R; Samuel, K; Hora, DF; Kumar, S; Madeira, M; Eng, W; Hargreaves, R; Purcell, M; Gantert, L; Cook, J; DeVita, RJ; Mills, SG 2-[(3aR,4R,5S,7aS)-5-{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethoxy}-4-(2-methylphenyl)octahydro-2H-isoindol-2-yl]-1,3-oxazol-4(5H)-one: a potent human NK1 receptor antagonist with multiple clearance pathways. J Med Chem 56:5940-8 (2014) [PubMed]  Article 
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:
BDBM50437205
Synonyms:
CHEMBL2402572
Type:
Small organic molecule
Emp. Form.:
C28H28F6N2O4
Mol. Mass.:
570.5233
SMILES:
Cc1ccccc1[C@H]1[C@@H]2CN(C[C@H]2CC[C@@H]1O[C@H](CO)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1nc(O)co1 |r|
Structure:
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