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Target
Substance-P receptor
Ligand
BDBM50449095
Substrate
n/a
Meas. Tech.
ChEMBL_1296837 (CHEMBL3132662)
IC50
16±n/a nM
Citation
 Wu, YJ; He, H; Gao, Q; Wu, D; Bertekap, R; Westphal, RS; Lelas, S; Newton, A; Wallace, T; Taber, M; Davis, C; Macor, JE; Bronson, J Discovery of a cyclopentylamine as an orally active dual NK1 receptor antagonist-serotonin reuptake transporter inhibitor. Bioorg Med Chem Lett 24:1611-4 (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:
BDBM50449095
Synonyms:
CHEMBL3126972
Type:
Small organic molecule
Emp. Form.:
C24H25F6NO
Mol. Mass.:
457.4518
SMILES:
FC(F)(F)c1cc(COCC2(CCC(C2)NC2CC2)c2ccccc2)cc(c1)C(F)(F)F
Structure:
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