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Target
Substance-P receptor
Ligand
BDBM50094124
Substrate
n/a
Meas. Tech.
ChEMBL_208672 (CHEMBL813331)
IC50
10±n/a nM
Citation
 Vedani, A; Briem, H; Dobler, M; Dollinger, H; McMasters, DR Multiple-conformation and protonation-state representation in 4D-QSAR: the neurokinin-1 receptor system. J Med Chem 43:4416-27 (2000) [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:
BDBM50094124
Synonyms:
CHEMBL140134 | N-[2-[1,4']Bipiperidinyl-1'-yl-2-(2,3-dimethoxy-phenyl)-ethyl]-2-(3,5-bis-trifluoromethyl-phenyl)-N-methyl-acetamide
Type:
Small organic molecule
Emp. Form.:
C31H39F6N3O3
Mol. Mass.:
615.6501
SMILES:
COc1cccc(C(CN(C)C(=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)N2CCC(CC2)N2CCCCC2)c1OC
Structure:
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