Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50079412
Substrate
n/a
Meas. Tech.
ChEMBL_205733 (CHEMBL809500)
IC50
98±n/a nM
Citation
Boden, P; Eden, JM; Hodgson, J; Horwell, DC; Hughes, J; McKnight, AT; Lewthwaite, RA; Pritchard, MC; Raphy, J; Meecham, K; Ratcliffe, GS; Suman-Chauhan, N; Woodruff, GN Use of a dipeptide chemical library in the development of non-peptide tachykinin NK3 receptor selective antagonists. J Med Chem 39:1664-75 (1996) [PubMed] Article
More Info.:
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:
BDBM50079412
Synonyms:
(NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 | Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 | Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2(Neurokinin B) | CHEMBL437797 | NKB | Neurokinin B
Type:
Small organic molecule
Emp. Form.:
C55H79N13O14S2
Mol. Mass.:
1210.424
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](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O