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Target
Substance-P receptor
Ligand
BDBM50442586
Substrate
n/a
Meas. Tech.
ChEMBL_990533 (CHEMBL2447076)
IC50
0.170000±n/a nM
Citation
 Di Fabio, R; Alvaro, G; Braggio, S; Carletti, R; Gerrard, PA; Griffante, C; Marchioro, C; Pozzan, A; Melotto, S; Poffe, A; Piccoli, L; Ratti, E; Tranquillini, E; Trower, M; Spada, S; Corsi, M Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate. Bioorg Med Chem 21:6264-73 (2013) [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:
BDBM50442586
Synonyms:
CHEMBL2441368
Type:
Small organic molecule
Emp. Form.:
C21H25NO2
Mol. Mass.:
323.4287
SMILES:
COc1ccccc1CO[C@H]1C2CCN(CC2)[C@H]1c1ccccc1 |r,wD:17.20,10.10,(10.25,-5.1,;10.25,-6.64,;11.58,-7.42,;12.91,-6.65,;14.25,-7.43,;14.24,-8.97,;12.9,-9.73,;11.58,-8.95,;10.24,-9.71,;10.23,-11.25,;8.89,-12.01,;7.58,-11.23,;6.23,-12.01,;6.23,-13.55,;7.56,-14.31,;8.31,-12.97,;6.82,-12.57,;8.89,-13.55,;10.22,-14.32,;10.21,-15.86,;11.54,-16.63,;12.88,-15.86,;12.88,-14.32,;11.55,-13.55,)|
Structure:
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