Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

CAS_52-53-9

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PubChem ID

CID: 2520

SID: 14784349

Canonical SMILES	COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show/Hide
Compound Formula	C27H38N2O4

Compound Structure

Protein Name

Protein Info

ATP-dependent translocase ABCB1

Protein Classification

Transporter

Primary active transporter

ATP-binding cassette

ABCB subfamily

Uniprot ID

P08183

Gene Name

ABCB1

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000924	12D7-MDR1 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 1200 nM	TI LI LO TS
CL000072	A2780 Cell Line Info	Homo sapiens (Human)	3
1	IC50 = 4570.88 nM	TI LI LO TS
2	IC50 = 5420 nM	TI LI LO TS
3	IC50 = 6606.93 nM	TI LI LO TS
CL000135	A2780ADR Cell Line Info	Homo sapiens (Human)	2
1	IC50 = 4570.88 nM	TI LI LO TS
2	IC50 = 5200 nM	TI LI LO TS
CL000051	BHK-21 Cell Line Info	Mesocricetus auratus (Golden hamster)	1
1	Km = 24000 nM	TI LI LO TS
CL000034	Caco-2 Cell Line Info	Homo sapiens (Human)	4
1	EC50 = 20000 nM	TI LI LO TS
2	IC50 = 2100 nM	TI LI LO TS
3	Ki = 880 nM	TI LI LO TS
4	Ki = 3000 nM	TI LI LO TS
CL000253	CCRF/VCR1000 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 120 nM	TI LI LO TS
CL000357	CEM/VLB500 Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 1041 nM	TI LI LO TS
CL000088	Flp-In-293 Cell Line Info	Homo sapiens (Human)	6
1	IC50 = 6.7 nM	TI LI LO TS
2	IC50 = 8.6 nM	TI LI LO TS
3	IC50 = 76.4 nM	TI LI LO TS
4	IC50 = 412 nM	TI LI LO TS
5	IC50 = 456 nM	TI LI LO TS
6	IC50 = 522 nM	TI LI LO TS
CL000162	HeLa S3 Cell Line Info	Homo sapiens (Human)	3
1	IC50 = 3.87 nM	TI LI LO TS
2	IC50 = 8.9 nM	TI LI LO TS
3	IC50 = 85.7 nM	TI LI LO TS
CL000002	K-562 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 1600 nM	TI LI LO TS
CL000137	K562/A02 Cell Line Info	Homo sapiens (Human)	5
1	IC50 = 6470 nM	TI LI LO TS
2	IC50 = 10730 nM	TI LI LO TS
3	IC50 = 17250 nM	TI LI LO TS
4	IC50 = 17550 nM	TI LI LO TS
5	IC50 = 31280 nM	TI LI LO TS
CL000009	LLC-PK1 Cell Line Info	Sus scrofa (Pig)	1
1	IC50 = 6300 nM	TI LI LO TS
CL000083	MCF-7 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 10100 nM	TI LI LO TS
CL000350	MDA435/LCC6MDR1 Cell Line Info	Homo sapiens (Human)	5
1	EC50 = 245 nM	TI LI LO TS
2	EC50 = 385 nM	TI LI LO TS
3	EC50 = 446 nM	TI LI LO TS
4	EC50 = 503 nM	TI LI LO TS
5	IC50 = 38 nM	TI LI LO TS
CL000031	MDCK Cell Line Info	Canis lupus familiaris (Dog)	5
1	EC50 = 20000 nM	TI LI LO TS
2	IC50 = 500 nM	TI LI LO TS
3	IC50 = 1300 nM	TI LI LO TS
4	IC50 = 9800 nM	TI LI LO TS
5	Ki = 15100 nM	TI LI LO TS
CL000036	MDCK-II Cell Line Info	Canis lupus familiaris (Dog)	1
1	IC50 = 14000 nM	TI LI LO TS
CL000359	MDCK-MDR1 Cell Line Info	Canis lupus familiaris (Dog)	1
1	EC50 = 500 nM	TI LI LO TS
CL000840	MDR-KB-VIN Cell Line Info	Homo sapiens (Human)	3
1	IC50 = 76.9 nM	TI LI LO TS
2	IC50 = 195 nM	TI LI LO TS
3	IC50 = 708 nM	TI LI LO TS
CL000355	MES-SA/Dx5 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 4780 nM	TI LI LO TS
CL000349	NCI-ADR-RES Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 11900 nM	TI LI LO TS
CL000167	NIH-3T3-G185 Cell Line Info	Mus musculus (Mouse)	6
1	IC50 = 4200 nM	TI LI LO TS
2	IC50 = 4700 nM	TI LI LO TS
3	IC50 = 6500 nM	TI LI LO TS
4	IC50 = 28900 nM	TI LI LO TS
5	IC50 = 38200 nM	TI LI LO TS
6	IC50 = 42000 nM	TI LI LO TS
CL000248	OCI-AML-2 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 400 nM	TI LI LO TS
CL001059	P388/VMDRC.04 Cell Line Info	Mus musculus (Mouse)	2
1	IC50 = 3100 nM	TI LI LO TS
2	IC50 = 53000 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	1
1	Km = 2000 nM	TI LI LO TS
CL000113	SW620/AD300 Cell Line Info	Homo sapiens (Human)	5
1	IC50 = 630 nM	TI LI LO TS
2	IC50 = 710 nM	TI LI LO TS
3	IC50 = 810 nM	TI LI LO TS
4	IC50 = 2980 nM	TI LI LO TS
5	IC50 > 30000 nM	TI LI LO TS

Biochemical Assays

1	IC50 = 1480 nM
2	IC50 = 2110 nM
3	IC50 = 6606.93 nM
4	IC50 = 12000 nM
5	IC50 = 18000 nM
6	Ki = 300 nM
7	Ki = 2500 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han