Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50329163
Substrate
n/a
Meas. Tech.
ChEMBL_674420 (CHEMBL1274749)
Ki
1.4±n/a nM
Citation
 Ratni, H; Ballard, TM; Bissantz, C; Hoffmann, T; Jablonski, P; Knoflach, F; Knust, H; Malherbe, P; Nettekoven, M; Patiny-Adam, A; Riemer, C; Schmitt, M; Spooren, W Rational design of novel pyrrolidine derivatives as orally active neurokinin-3 receptor antagonists. Bioorg Med Chem Lett 20:6735-8 (2010) [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:
BDBM50329163
Synonyms:
CHEMBL1269639 | N-((3R,4S)-1-(4-acetylpiperazine-1-carbonyl)-4-(4-fluorophenyl)pyrrolidin-3-yl)-2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamide
Type:
Small organic molecule
Emp. Form.:
C30H33F7N4O3
Mol. Mass.:
630.5968
SMILES:
CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)N1CCN(CC1)C(C)=O)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Structure:
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