Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine

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PubChem ID

CID: 104943

SID: 12014604

Canonical SMILES	COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 Show/Hide
Compound Formula	C28H32N2O

Compound Structure

Protein Name

Protein Info

Substance-P receptor

Protein Classification

Membrane receptor

Family A G protein-coupled receptor

Peptide receptor (family A GPCR)

Short peptide receptor (family A GPCR)

Neurokinin receptor

Uniprot ID

P25103

Gene Name

TACR1

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	5
1	IC50 = 0.2 nM	TI LI LO TS
2	IC50 = 0.4 nM	TI LI LO TS
3	IC50 = 0.45 nM	TI LI LO TS
4	IC50 = 0.5 nM	TI LI LO TS
5	IC50 = 22 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	4
1	Kd = 5.37 nM	TI LI LO TS
2	Kd = 16.6 nM	TI LI LO TS
3	Ki = 0.3 nM	TI LI LO TS
4	Ki = 0.4 nM	TI LI LO TS
CL000228	IM-9 Cell Line Info	Homo sapiens (Human)	8
1	IC50 = 0.33 nM	TI LI LO TS
2	IC50 = 0.35 nM	TI LI LO TS
3	IC50 = 0.48 nM	TI LI LO TS
4	IC50 = 0.52 nM	TI LI LO TS
5	IC50 = 0.6761 nM	TI LI LO TS
6	IC50 = 0.77 nM	TI LI LO TS
7	IC50 = 2 nM	TI LI LO TS
8	IC50 = 4.2 nM	TI LI LO TS

Biochemical Assays