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Target
Substance-P receptor
Ligand
BDBM50327385
Substrate
n/a
Meas. Tech.
ChEMBL_664411 (CHEMBL1259677)
IC50
0.21±n/a nM
Citation
 Morriello, GJ; Chicchi, G; Johnson, T; Mills, SG; Demartino, J; Kurtz, M; Tsao, KL; Zheng, S; Tong, X; Carlson, E; Townson, K; Wheeldon, A; Boyce, S; Collinson, N; Rupniak, N; Devita, RJ Fused tricyclic pyrrolizinones that exhibit pseudo-irreversible blockade of the NK1 receptor. Bioorg Med Chem Lett 20:5925-32 (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:
BDBM50327385
Synonyms:
(1S,2R,5aS,7R,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-ethyl-1-(4-fluorophenyl)-7-hydroxyoctahydrocyclopenta[a]pyrrolizin-5(5aH)-one | CHEMBL1256591
Type:
Small organic molecule
Emp. Form.:
C28H28F7NO3
Mol. Mass.:
559.5156
SMILES:
CC[C@@]1(O)C[C@@H]2[C@H](C1)C(=O)N1C[C@H](O[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@H]([C@H]21)c1ccc(F)cc1 |r|
Structure:
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