Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50116074
Substrate
n/a
Meas. Tech.
ChEBML_208822
Ki
0.400000±n/a nM
Citation
 Ting, PC; Lee, JF; Shih, NY; Piwinski, JJ; Anthes, JC; Chapman, RW; Rizzo, CA; Hey, JA; Ng, K; Nomeir, AA Identification of a novel 1'-[5-((3,5-dichlorobenzoyl)methylamino)-3-(3,4-dichlorophenyl)-4-(methoxyimino)pentyl]-2-oxo-(1,4'-bipiperidine) as a dual NK(1)/NK(2) antagonist. Bioorg Med Chem Lett 12:2125-8 (2002) [PubMed]  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:
BDBM50116074
Synonyms:
CHEMBL66635 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4']bipiperidinyl-1'-yl)-3-(3,4-dichloro-phenyl)-2-methoxyimino-pentyl]-3,5-dichloro-N-ethyl-benzamide
Type:
Small organic molecule
Emp. Form.:
C32H39Cl4N5O4
Mol. Mass.:
699.495
SMILES:
CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1
Structure:
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