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Target
Substance-P receptor
Ligand
BDBM50218213
Substrate
n/a
Meas. Tech.
ChEMBL_457052 (CHEMBL923388)
IC50
0.07±n/a nM
Citation
 Lin, P; Chang, L; Devita, RJ; Young, JR; Eid, R; Tong, X; Zheng, S; Ball, RG; Tsou, NN; Chicchi, GG; Kurtz, MM; Tsao, KL; Wheeldon, A; Carlson, EJ; Eng, W; Burns, HD; Hargreaves, RJ; Mills, SG The discovery of potent, selective, and orally bioavailable hNK1 antagonists derived from pyrrolidine. Bioorg Med Chem Lett 17:5191-8 (2007) [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:
BDBM50218213
Synonyms:
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)ethanone | CHEMBL249145
Type:
Small organic molecule
Emp. Form.:
C22H20F7NO2
Mol. Mass.:
463.3885
SMILES:
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Structure:
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