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Target
Substance-P receptor
Ligand
BDBM50190835
Substrate
n/a
Meas. Tech.
ChEMBL_405761 (CHEMBL869873)
IC50
2.7±n/a nM
Citation
 Finke, PE; Meurer, LC; Levorse, DA; Mills, SG; Maccoss, M; Sadowski, S; Cascieri, MA; Tsao, KL; Chicchi, GG; Metzger, JM; Macintyre, DE Cyclopentane-based human NK1 antagonists. Part 1: discovery and initial SAR. Bioorg Med Chem Lett 16:4497-503 (2006) [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:
BDBM50190835
Synonyms:
(+/-)-trans-1-(3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)-3-methylurea | CHEMBL213316
Type:
Small organic molecule
Emp. Form.:
C22H22F6N2O2
Mol. Mass.:
460.4127
SMILES:
CNC(=O)N[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1
Structure:
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