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Target
Substance-P receptor
Ligand
BDBM50290303
Substrate
n/a
Meas. Tech.
ChEBML_144915
IC50
4.5±n/a nM
Citation
 Burkholder, TP; Kudlacz, EM; Maynard, GD; Liu, XG; Le, TB; Webster, ME; Horgan, SW; Wenstrup, DL; Freund, DW; Boyer, F; Bratton, L; Gross, RS; Knippenberg, RW; Logan, DE; Jones, BK; Chen, TM; Geary, JL; Correll, MA; Poole, JC; Mandagere, AK Synthesis and structure-activity relationships for a series of substituted pyrrolidine NK1/NK2 receptor antagonists Bioorg Med Chem Lett 7:2531-2536 (1997)    Article 
Target
Name:
Substance-P receptor
Synonyms:
NK1R_CAVPO | Neurokinin 1 receptor | Neurokinin NK1 | TAC1R | TACR1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
46261.42
Organism:
GUINEA PIG
Description:
Neurokinin NK1 TACR1 GUINEA PIG::P30547
Residue:
407
Sequence:
MDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
  
Inhibitor
Name:
BDBM50290303
Synonyms:
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidin-4-yl)-(4-methyl-piperazin-1-yl)-methanone | CHEMBL315814
Type:
Small organic molecule
Emp. Form.:
C39H48Cl2N4O5
Mol. Mass.:
723.728
SMILES:
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(=O)N2CCN(C)CC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Structure:
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