Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50327381
Substrate
n/a
Meas. Tech.
ChEMBL_664411 (CHEMBL1259677)
IC50
1.50±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:
BDBM50327381
Synonyms:
(7R,8S,8aS)-7-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-8-(4-fluorophenyl)octahydropyrrolo[3,4-a]pyrrolizin-4(8bH)-one | CHEMBL1258623
Type:
Small organic molecule
Emp. Form.:
C25H23F7N2O2
Mol. Mass.:
516.4511
SMILES:
C[C@@H](O[C@H]1CN2[C@@H](C3CNCC3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: