Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

AZD-9291

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PubChem ID

CID: 71496458

SID: 163477648

Canonical SMILES	COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show/Hide
Compound Formula	C28H33N7O2

Compound Structure

Protein Name

Protein Info

Epidermal growth factor receptor

Protein Classification

Enzyme

Kinase

Protein Kinase

TK protein kinase group

Tyrosine protein kinase EGFR family

Uniprot ID

P00533

Gene Name

EGFR

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000052	A-431 Cell Line Info	Homo sapiens (Human)	5
1	EC50 = 667 nM	TI LI LO TS
2	IC50 = 141 nM	TI LI LO TS
3	IC50 = 322 nM	TI LI LO TS
4	IC50 = 911 nM	TI LI LO TS
5	IC50 = 2823 nM	TI LI LO TS
CL000068	A-549 Cell Line Info	Homo sapiens (Human)	2
1	GI50 = 3500 nM	TI LI LO TS
2	IC50 = 150 nM	TI LI LO TS
CL000077	Ba/F3 Cell Line Info	Mus musculus (Mouse)	16
1	EC50 = 2 nM	TI LI LO TS
2	EC50 = 6 nM	TI LI LO TS
3	EC50 = 16 nM	TI LI LO TS
4	EC50 = 18 nM	TI LI LO TS
5	EC50 = 20 nM	TI LI LO TS
6	EC50 = 43 nM	TI LI LO TS
7	EC50 = 66 nM	TI LI LO TS
8	GI50 = 1 nM	TI LI LO TS
9	GI50 < 3 nM	TI LI LO TS
10	GI50 = 13 nM	TI LI LO TS
11	GI50 = 60 nM	TI LI LO TS
12	GI50 = 280 nM	TI LI LO TS
13	GI50 = 300 nM	TI LI LO TS
14	GI50 = 310 nM	TI LI LO TS
15	GI50 = 550 nM	TI LI LO TS
16	GI50 = 590 nM	TI LI LO TS
CL000945	DFCI032 Cell Line Info	Homo sapiens (Human)	4
1	EC50 = 190 nM	TI LI LO TS
2	EC50 = 3210 nM	TI LI LO TS
3	EC50 = 4730 nM	TI LI LO TS
4	EC50 = 7930 nM	TI LI LO TS
CL000150	HaCaT Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 73.7 nM	TI LI LO TS
CL000380	HCC827 Cell Line Info	Homo sapiens (Human)	1
1	GI50 = 1 nM	TI LI LO TS
CL000025	HEK-293T Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 1700 nM	TI LI LO TS
CL000063	Hep-G2 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 2239 nM	TI LI LO TS
CL000007	HT-29 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 2834 nM	TI LI LO TS
CL000323	LoVo Cell Line Info	Homo sapiens (Human)	1
1	EC50 = 480 nM	TI LI LO TS
CL000083	MCF-7 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 2540 nM	TI LI LO TS
CL000957	NCI-H1355 Cell Line Info	Homo sapiens (Human)	1
1	GI50 = 3000 nM	TI LI LO TS
CL000960	NCI-H1703 Cell Line Info	Homo sapiens (Human)	1
1	GI50 = 3500 nM	TI LI LO TS
CL000157	NCI-H1975 Cell Line Info	Homo sapiens (Human)	9
1	EC50 = 19 nM	TI LI LO TS
2	EC50 = 57 nM	TI LI LO TS
3	EC50 = 286 nM	TI LI LO TS
4	GI50 = 5 nM	TI LI LO TS
5	IC50 = 2.5 nM	TI LI LO TS
6	IC50 = 15 nM	TI LI LO TS
7	IC50 = 22 nM	TI LI LO TS
8	IC50 = 30 nM	TI LI LO TS
9	IC50 = 41 nM	TI LI LO TS
CL000325	NCI-H2073 Cell Line Info	Homo sapiens (Human)	2
1	EC50 = 1865 nM	TI LI LO TS
2	IC50 = 240 nM	TI LI LO TS
CL000401	NCI-H2122 Cell Line Info	Homo sapiens (Human)	1
1	GI50 = 1200 nM	TI LI LO TS
CL000324	NCI-H3255 Cell Line Info	Homo sapiens (Human)	4
1	GI50 = 33 nM	TI LI LO TS
2	GI50 = 90 nM	TI LI LO TS
3	IC50 = 4.1 nM	TI LI LO TS
4	IC50 = 40 nM	TI LI LO TS
CL000379	PC-9 Cell Line Info	Homo sapiens (Human)	1
1	GI50 = 2 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	14
1	IC50 = 0.02 nM	TI LI LO TS
2	IC50 = 0.06 nM	TI LI LO TS
3	IC50 = 0.2 nM	TI LI LO TS
4	IC50 = 1.5 nM	TI LI LO TS
5	IC50 = 2 nM	TI LI LO TS
6	IC50 = 17 nM	TI LI LO TS
7	IC50 = 19.04 nM	TI LI LO TS
8	IC50 = 20.8 nM	TI LI LO TS
9	IC50 = 90 nM	TI LI LO TS
10	IC50 = 278 nM	TI LI LO TS
11	IC50 = 495.7 nM	TI LI LO TS
12	IC50 = 567.5 nM	TI LI LO TS
13	IC50 = 1230 nM	TI LI LO TS
14	IC50 > 1000 nM	TI LI LO TS

Biochemical Assays

1	IC50 = 0.414 nM
2	IC50 = 0.421 nM
3	IC50 = 0.43 nM
4	IC50 < 0.5 nM
5	IC50 = 0.5 nM
6	IC50 = 0.55 nM
7	IC50 = 0.62 nM
8	IC50 = 0.8 nM
9	IC50 = 0.9 nM
10	IC50 = 0.95 nM
11	IC50 = 1 nM
12	IC50 < 1 nM
13	IC50 = 1.065 nM
14	IC50 = 1.1 nM
15	IC50 = 1.15 nM
16	IC50 = 1.2 nM
17	IC50 = 1.4 nM
18	IC50 = 1.6 nM
19	IC50 = 1.8 nM
20	IC50 = 2 nM
21	IC50 = 2.2 nM
22	IC50 = 2.4 nM
23	IC50 = 3 nM
24	IC50 = 3.4 nM
25	IC50 = 3.9 nM
26	IC50 = 5 nM
27	IC50 = 7.2 nM
28	IC50 = 8 nM
29	IC50 = 8.807 nM
30	IC50 = 11.44 nM
31	IC50 = 12.92 nM
32	IC50 = 16 nM
33	IC50 = 20.8 nM
34	IC50 = 27.5 nM
35	IC50 = 29.6 nM
36	IC50 = 34.5 nM
37	IC50 = 77 nM
38	IC50 = 94 nM
39	IC50 = 109 nM
40	IC50 = 110 nM
41	IC50 = 120 nM
42	IC50 = 120.6 nM
43	IC50 = 142.1 nM
44	IC50 = 167.1 nM
45	IC50 = 184 nM
46	IC50 = 207.5 nM
47	IC50 = 210 nM
48	IC50 = 225 nM
49	IC50 = 225.2 nM
50	IC50 = 236.6 nM
51	IC50 = 260.4 nM
52	IC50 = 330 nM
53	IC50 = 332.6 nM
54	IC50 = 410 nM
55	IC50 = 410.7 nM
56	IC50 = 465.4 nM
57	IC50 = 493.8 nM
58	IC50 = 493.88 nM
59	IC50 = 567.5 nM
60	Ki = 3.5 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han