Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

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PubChem ID

CID: 5291

SID: 14859628

Canonical SMILES	CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show/Hide
Compound Formula	C29H31N7O

Compound Structure

Protein Name

Protein Info

Mast/stem cell growth factor receptor Kit

Protein Classification

Enzyme

Kinase

Protein Kinase

TK protein kinase group

Tyrosine protein kinase PDGFR family

Uniprot ID

P10721

Gene Name

KIT

Table of Molecular Bioactivities Related to the Compound and Protein

Cell-based Assay

Cell Line ID	Cell Line Name	Cell Line Organism
CL000077	Ba/F3 Cell Line Info	Mus musculus (Mouse)	47
1	GI50 = 1 nM	TI LI LO TS
2	GI50 = 5 nM	TI LI LO TS
3	GI50 = 17 nM	TI LI LO TS
4	GI50 = 24.9 nM	TI LI LO TS
5	GI50 = 36 nM	TI LI LO TS
6	GI50 = 39 nM	TI LI LO TS
7	GI50 = 45.1 nM	TI LI LO TS
8	GI50 = 70 nM	TI LI LO TS
9	GI50 = 100 nM	TI LI LO TS
10	GI50 = 102 nM	TI LI LO TS
11	GI50 = 115 nM	TI LI LO TS
12	GI50 = 148.2 nM	TI LI LO TS
13	GI50 = 192 nM	TI LI LO TS
14	GI50 = 216 nM	TI LI LO TS
15	GI50 = 223 nM	TI LI LO TS
16	GI50 = 267 nM	TI LI LO TS
17	GI50 = 312 nM	TI LI LO TS
18	GI50 = 360 nM	TI LI LO TS
19	GI50 = 364 nM	TI LI LO TS
20	GI50 = 370 nM	TI LI LO TS
21	GI50 = 381.9 nM	TI LI LO TS
22	GI50 = 392 nM	TI LI LO TS
23	GI50 = 400 nM	TI LI LO TS
24	GI50 = 406 nM	TI LI LO TS
25	GI50 = 535 nM	TI LI LO TS
26	GI50 = 590 nM	TI LI LO TS
27	GI50 = 669 nM	TI LI LO TS
28	GI50 = 700 nM	TI LI LO TS
29	GI50 = 701 nM	TI LI LO TS
30	GI50 = 803 nM	TI LI LO TS
31	GI50 = 803.1 nM	TI LI LO TS
32	GI50 = 823 nM	TI LI LO TS
33	GI50 = 1191 nM	TI LI LO TS
34	GI50 = 1245 nM	TI LI LO TS
35	GI50 = 1290 nM	TI LI LO TS
36	GI50 = 1466 nM	TI LI LO TS
37	GI50 = 1523 nM	TI LI LO TS
38	GI50 = 1570 nM	TI LI LO TS
39	GI50 = 2300 nM	TI LI LO TS
40	GI50 = 2490 nM	TI LI LO TS
41	GI50 = 2749 nM	TI LI LO TS
42	GI50 = 3947 nM	TI LI LO TS
43	GI50 = 5200 nM	TI LI LO TS
44	GI50 = 6670 nM	TI LI LO TS
45	GI50 = 9600 nM	TI LI LO TS
46	GI50 = 9930 nM	TI LI LO TS
47	GI50 > 10000 nM	TI LI LO TS
CL000755	Ba/F3 c-Kit D816V Cell Line Info	Mus musculus (Mouse)	1
1	IC50 = 5000 nM	TI LI LO TS
CL000011	CHO Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	IC50 = 260 nM	TI LI LO TS
CL000854	GIST-5R Cell Line Info	Homo sapiens (Human)	1
1	GI50 = 8300 nM	TI LI LO TS
CL000122	GIST-T1 Cell Line Info	Homo sapiens (Human)	3
1	GI50 = 10 nM	TI LI LO TS
2	GI50 = 27 nM	TI LI LO TS
3	GI50 >= 30000 nM	TI LI LO TS
CL000123	GIST430 Cell Line Info	Homo sapiens (Human)	1
1	GI50 = 1100 nM	TI LI LO TS
CL000138	M-07e Cell Line Info	Homo sapiens (Human)	2
1	IC50 = 46 nM	TI LI LO TS
2	IC50 = 219 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	5
1	IC50 = 53 nM	TI LI LO TS
2	IC50 = 319 nM	TI LI LO TS
3	IC50 = 769 nM	TI LI LO TS
4	IC50 = 5210 nM	TI LI LO TS
5	IC50 = 9818 nM	TI LI LO TS

Biochemical Assays

1	EC50 = 100 nM
2	IC50 = 16.4 nM
3	IC50 = 21.6 nM
4	IC50 = 41 nM
5	IC50 = 52 nM
6	IC50 = 58 nM
7	IC50 = 100 nM
8	IC50 = 370 nM
9	IC50 = 400 nM
10	IC50 = 413 nM
11	IC50 >= 100000 nM
12	Kd = 12.59 nM
13	Kd = 13 nM
14	Kd = 14 nM
15	Kd = 15 nM
16	Kd = 71 nM
17	Kd = 91 nM
18	Kd = 560 nM
19	Kd = 820 nM
20	Kd = 830 nM
21	Kd = 980 nM
22	Kd = 2500 nM
23	Kd = 2900 nM

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han