Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50187673
Substrate
n/a
Meas. Tech.
ChEMBL_361262 (CHEMBL870230)
Ki
1250±n/a nM
Citation
 Li, H; Anderes, KL; Kraynov, EA; Luthin, DR; Do, QQ; Hong, Y; Tompkins, E; Sun, ET; Rajapakse, R; Pathak, VP; Christie, LC; Feng, J; Vazir, H; Castillo, R; Gregory, ML; Castro, M; Nared-Hood, K; Paderes, G; Anderson, MB Discovery of a novel, orally active, small molecule gonadotropin-releasing hormone (GnRH) receptor antagonist. J Med Chem 49:3362-7 (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:
BDBM50187673
Synonyms:
5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxylic Acid [4,6-dimethoxy-2-(3-morpholin-4-yl-propylamino)-pyrimidine-5-yl]-amide | CHEMBL210514
Type:
Small organic molecule
Emp. Form.:
C30H39N5O6
Mol. Mass.:
565.6606
SMILES:
COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Structure:
Search PDB for entries with ligand similarity: