Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium chloride(TAK-779)

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PubChem ID

CID: 183789

SID: 14861012

Canonical SMILES	Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCC3)cc1.[Cl-] Show/Hide
Compound Formula	C33H39ClN2O2

Compound Structure

Protein Name

Protein Info

C-C chemokine receptor type 2

Protein Classification

Membrane receptor

Family A G protein-coupled receptor

Peptide receptor (family A GPCR)

Chemokine receptor

CC chemokine receptor

Uniprot ID

P41597

Gene Name

CCR2

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000064	Chem-1 Cell Line Info	Rattus norvegicus (Rat)	1
1	IC50 = 0.95 nM	TI LI LO TS
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	3
1	IC50 = 27 nM	TI LI LO TS
2	IC50 = 28 nM	TI LI LO TS
3	Ki = 4.169 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	IC50 = 12 nM	TI LI LO TS
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	12
1	Ki = 2.63 nM	TI LI LO TS
2	Ki = 6.918 nM	TI LI LO TS
3	Ki = 9.772 nM	TI LI LO TS
4	Ki = 12.59 nM	TI LI LO TS
5	Ki = 17.78 nM	TI LI LO TS
6	Ki = 21.38 nM	TI LI LO TS
7	Ki = 27.54 nM	TI LI LO TS
8	Ki = 28.84 nM	TI LI LO TS
9	Ki = 104.71 nM	TI LI LO TS
10	Ki = 147.91 nM	TI LI LO TS
11	Ki = 181.97 nM	TI LI LO TS
12	Ki = 1348.96 nM	TI LI LO TS
CL000043	U2OS Cell Line Info	Homo sapiens (Human)	2
1	IC50 = 50 nM	TI LI LO TS
2	Ki = 2 nM	TI LI LO TS

Biochemical Assays

1	IC50 = 27 nM