Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50099513
Substrate
n/a
Meas. Tech.
ChEBML_141776
IC50
1.7±n/a nM
Citation
 Cooper, LC; Chicchi, GG; Dinnell, K; Elliott, JM; Hollingworth, GJ; Kurtz, MM; Locker, KL; Morrison, D; Shaw, DE; Tsao, KL; Watt, AP; Williams, AR; Swain, CJ 2-Aryl indole NK1 receptor antagonists: optimisation of indole substitution. Bioorg Med Chem Lett 11:1233-6 (2001) [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:
BDBM50099513
Synonyms:
1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chloro-phenyl)-1-methyl-5-pyridin-2-yl-1H-indol-3-yl]-propan-1-one | CHEMBL20717
Type:
Small organic molecule
Emp. Form.:
C35H34ClN3O2
Mol. Mass.:
564.116
SMILES:
Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)-c1ccccn1)-c1ccc(Cl)cc1
Structure:
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