Ki Summary

Reaction Details

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Target

Substance-P receptor

Ligand

BDBM50114962

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_205711 (CHEMBL807958)

IC50

0.330000±n/a nM

Citation

Cooper, LC; Carlson, EJ; Castro, JL; Chicchi, GG; Dinnell, K; Di Salvo, J; Elliott, JM; Hollingworth, GJ; Kurtz, MM; Ridgill, MP; Rycroft, W; Tsao, KL; Swain, CJ 4,4-Disubstituted cyclohexylamine NK(1) receptor antagonists II. Bioorg Med Chem Lett12:1759-62 (2002) [PubMed]

More Info.:

Get all data from this article, Assay Method

Substance-P receptor

Name:

Substance-P receptor

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

46254.43

Organism:

Homo sapiens (Human)

Description:

P25103

Residue:

407

Sequence:

MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAH
KRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVC
MIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTIST
VVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS

BDBM50114962

n/a

Name

BDBM50114962

Synonyms:

CHEMBL3085130 | N-[4-(4-Benzyl-4-hydroxy-piperidin-1-yl)-1-phenyl-cyclohexyl]-2-(3,5-bis-trifluoromethyl-phenyl)-propionamide

Type

Small organic molecule

Emp. Form.

C35H38F6N2O2

Mol. Mass.

632.6788

SMILES

CC(C(=O)NC1(CCC(CC1)N1CCC(O)(Cc2ccccc2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(9.01,-.09,;7.68,-.86,;6.34,-.09,;5.01,-.86,;6.34,1.45,;5.01,2.22,;4.02,3.4,;2.5,3.13,;1.98,1.69,;2.97,.51,;4.48,.77,;.46,1.42,;-.53,2.6,;-2.05,2.33,;-2.57,.88,;-3.91,1.65,;-3.56,-.3,;-5.08,-.03,;-6.07,-1.21,;-7.59,-.94,;-8.11,.51,;-7.12,1.69,;-5.61,1.42,;-1.58,-.3,;-.07,-.03,;6,3.4,;5.47,4.85,;6.46,6.03,;7.98,5.76,;8.51,4.31,;7.52,3.13,;7.68,-2.4,;6.34,-3.17,;6.34,-4.71,;7.68,-5.48,;9.01,-4.71,;9.01,-3.17,;10.34,-5.48,;11.68,-6.25,;9.57,-6.81,;11.11,-4.15,;5.01,-5.48,;3.68,-6.25,;5.78,-6.81,;4.24,-4.15,)|

Structure