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Target
Substance-P receptor
Ligand
BDBM50106358
Substrate
n/a
Meas. Tech.
ChEMBL_1506611 (CHEMBL3598468)
IC50
0.320000±n/a nM
Citation
 Degnan, AP; Tora, GO; Han, Y; Rajamani, R; Bertekap, R; Krause, R; Davis, CD; Hu, J; Morgan, D; Taylor, SJ; Krause, K; Li, YW; Mattson, G; Cunningham, MA; Taber, MT; Lodge, NJ; Bronson, JJ; Gillman, KW; Macor, JE Biaryls as potent, tunable dual neurokinin 1 receptor antagonists and serotonin transporter inhibitors. Bioorg Med Chem Lett 25:3039-43 (2015) [PubMed]  Article 
Target
Name:
Substance-P receptor
Synonyms:
NK-1 receptor | NK-1R | NK1 Receptor | NK1R_RAT | Neurokinin 1 receptor | Neurokinin NK1 | SPR | Substance-P receptor | Tac1r | Tachykinin receptor 1 | Tacr1
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
46371.54
Organism:
Rattus norvegicus (rat)
Description:
Competition binding assays were carried out using membrane preparations from transfected CHO cells that constitutively expressed the rat NK1 receptor.
Residue:
407
Sequence:
MDNVLPMDSDLFPNISTNTSESNQFVQPTWQIVLWAAAYTVIVVTSVVGNVVVIWIILAHKRMRTVTNYFLVNLAFAEACMAAFNTVVNFTYAVHNVWYYGLFYCKFHNFFPIAALFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHVFFLLPYINPDLYLKKFIQQVYLASMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQSSVYKVSRLETTISTVVGAHEEEPEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
  
Inhibitor
Name:
BDBM50106358
Synonyms:
CHEMBL3596485
Type:
Small organic molecule
Emp. Form.:
C27H23F5N2O
Mol. Mass.:
486.4763
SMILES:
Fc1cc(cc(F)c1C#N)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Structure:
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