Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50030230
Substrate
n/a
Meas. Tech.
ChEMBL_143026 (CHEMBL857542)
IC50
2.4±n/a nM
Citation
 Lowe, JA; Drozda, SE; McLean, S; Bryce, DK; Crawford, RT; Snider, RM; Longo, KP; Nagahisa, A; Tsuchiya, M Aza-tricyclic substance P antagonists. J Med Chem 37:2831-40 (1994) [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:
BDBM50030230
Synonyms:
(S)-((S)-9-Benzhydryl-1-aza-tricyclo[4.3.1.0*3,7*]dec-8-yl)-(2-methoxy-benzyl)-amine | CHEMBL95561
Type:
Small organic molecule
Emp. Form.:
C30H34N2O
Mol. Mass.:
438.6038
SMILES:
COc1ccccc1CNC1C2C3CCC2CN(C3)[C@H]1C(c1ccccc1)c1ccccc1 |wD:19.23,TLB:13:12:19.10:15.16,(7.71,-5.53,;6.37,-4.76,;6.37,-3.22,;7.71,-2.45,;7.71,-.89,;6.37,-.12,;5.04,-.91,;5.04,-2.45,;3.69,-3.22,;3.69,-4.76,;2.36,-5.53,;1.03,-4.74,;1.8,-6.07,;-1.63,-6.28,;-1.63,-4.74,;-.3,-5.51,;-.3,-7.05,;1.03,-7.82,;.37,-6.77,;2.36,-7.07,;3.71,-7.82,;3.69,-9.38,;5.02,-10.13,;5.04,-11.67,;3.69,-12.44,;2.36,-11.67,;2.36,-10.13,;5.19,-7.43,;5.58,-5.95,;7.05,-5.54,;8.15,-6.63,;7.77,-8.1,;6.28,-8.52,)|
Structure:
Search PDB for entries with ligand similarity: