Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50001447
Substrate
n/a
Meas. Tech.
ChEBML_208663
IC50
31±n/a nM
Citation
 Howson, W; Hodgson, J; Richardson, R; Walton, L; Guard, S; Watling, K An SAR study for the non-peptide substance P receptor (NK1) antagonist, CP-96,345. Bioorg Med Chem Lett 2:559-564 (1992)    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:
BDBM50001447
Synonyms:
CHEMBL217406 | His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH2 | His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-NH2(NeurokininA)
Type:
Small organic molecule
Emp. Form.:
C50H80N14O14S
Mol. Mass.:
1133.321
SMILES:
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(N)=O
Structure:
Search PDB for entries with ligand similarity: