Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

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PubChem ID

CID: 5329102

SID: 14830382

Canonical SMILES	CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show/Hide
Compound Formula	C22H27FN4O2

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)	25
1	GI50 = 2 nM	TI LI LO TS
2	GI50 = 4 nM	TI LI LO TS
3	GI50 = 5 nM	TI LI LO TS
4	GI50 = 6 nM	TI LI LO TS
5	GI50 = 7 nM	TI LI LO TS
6	GI50 = 9 nM	TI LI LO TS
7	GI50 = 12 nM	TI LI LO TS
8	GI50 = 20 nM	TI LI LO TS
9	GI50 = 23 nM	TI LI LO TS
10	GI50 = 24 nM	TI LI LO TS
11	GI50 = 27 nM	TI LI LO TS
12	GI50 = 53 nM	TI LI LO TS
13	GI50 = 78 nM	TI LI LO TS
14	GI50 = 110 nM	TI LI LO TS
15	GI50 = 214 nM	TI LI LO TS
16	GI50 = 271 nM	TI LI LO TS
17	GI50 = 398 nM	TI LI LO TS
18	GI50 = 420 nM	TI LI LO TS
19	GI50 = 430 nM	TI LI LO TS
20	GI50 = 510 nM	TI LI LO TS
21	GI50 = 584 nM	TI LI LO TS
22	GI50 = 638 nM	TI LI LO TS
23	GI50 = 696 nM	TI LI LO TS
24	GI50 = 782 nM	TI LI LO TS
25	GI50 = 1380 nM	TI LI LO TS
CL000854	GIST-5R Cell Line Info	Homo sapiens (Human)	1
1	GI50 = 21 nM	TI LI LO TS
CL000122	GIST-T1 Cell Line Info	Homo sapiens (Human)	1
1	GI50 = 5 nM	TI LI LO TS
CL000123	GIST430 Cell Line Info	Homo sapiens (Human)	1
1	GI50 = 98 nM	TI LI LO TS
CL000013	Sf9 Cell Line Info	Spodoptera frugiperda (Fall armyworm)	3
1	IC50 = 48 nM	TI LI LO TS
2	IC50 = 80 nM	TI LI LO TS
3	IC50 = 3021 nM	TI LI LO TS

Biochemical Assays

1	IC50 = 0.7 nM
2	IC50 = 1.1 nM
3	IC50 = 2.8 nM
4	IC50 = 8 nM
5	IC50 = 8.9 nM
6	IC50 = 10 nM
7	IC50 = 13.1 nM
8	IC50 = 35 nM
9	IC50 = 264 nM
10	IC50 = 350 nM
11	Kd = 0.21 nM
12	Kd = 0.28 nM
13	Kd = 0.37 nM
14	Kd = 0.41 nM
15	Kd = 0.7 nM
16	Kd = 0.71 nM
17	Kd = 1.3 nM
18	Kd = 43 nM
19	Kd = 110 nM
20	Kd = 380 nM
21	Ki = 4 nM

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About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han