Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester

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PubChem ID

CID: 10322450

SID: 15331929

Canonical SMILES	COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O Show/Hide
Compound Formula	C26H35N3O5

Compound Structure

Protein Name

Protein Info

Broad substrate specificity ATP-binding cassette transporter ABCG2

Protein Classification

Transporter

Primary active transporter

ATP-binding cassette

ABCG subfamily

Uniprot ID

Q9UNQ0

Gene Name

ABCG2

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000006	HEK293 Cell Line Info	Homo sapiens (Human)	6
1	EC50 = 12 nM	TI LI LO TS
2	EC50 = 29 nM	TI LI LO TS
3	EC50 = 74 nM	TI LI LO TS
4	EC50 = 90 nM	TI LI LO TS
5	IC50 = 50 nM	TI LI LO TS
6	IC50 = 90 nM	TI LI LO TS
CL000462	HEKR2 Cell Line Info	Homo sapiens (Human)	3
1	EC50 = 5.4 nM	TI LI LO TS
2	EC50 = 8.7 nM	TI LI LO TS
3	IC50 = 24 nM	TI LI LO TS
CL000083	MCF-7 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 309.03 nM	TI LI LO TS
CL000415	MCF-7 MX100 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 9 nM	TI LI LO TS
CL000756	MCF/MX Cell Line Info	Homo sapiens (Human)	3
1	IC50 = 230 nM	TI LI LO TS
2	IC50 = 330 nM	TI LI LO TS
3	IC50 = 390 nM	TI LI LO TS
CL000781	MCF7/Topo Cell Line Info	Homo sapiens (Human)	2
1	IC50 = 117 nM	TI LI LO TS
2	IC50 = 225 nM	TI LI LO TS
CL000031	MDCK Cell Line Info	Canis lupus familiaris (Dog)	2
1	IC50 = 74 nM	TI LI LO TS
2	IC50 = 210 nM	TI LI LO TS
CL000036	MDCK-II Cell Line Info	Canis lupus familiaris (Dog)	13
1	IC50 = 128 nM	TI LI LO TS
2	IC50 = 202 nM	TI LI LO TS
3	IC50 = 215 nM	TI LI LO TS
4	IC50 = 220 nM	TI LI LO TS
5	IC50 = 221 nM	TI LI LO TS
6	IC50 = 227 nM	TI LI LO TS
7	IC50 = 240 nM	TI LI LO TS
8	IC50 = 250 nM	TI LI LO TS
9	IC50 = 260 nM	TI LI LO TS
10	IC50 = 274 nM	TI LI LO TS
11	IC50 = 276 nM	TI LI LO TS
12	IC50 = 330 nM	TI LI LO TS
13	IC50 = 354 nM	TI LI LO TS
CL000145	NCI-H460 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 70 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	4
1	IC50 = 4 nM	TI LI LO TS
2	IC50 = 5 nM	TI LI LO TS
3	IC50 = 28 nM	TI LI LO TS
4	IC50 = 170 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 10 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han