acompound

Showing entry for 2-Bromoaldisin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032059
Compound Name	2-Bromoaldisin
Structure
Formula	C8H7BrN2O2
InchiKey	INYSELGLAAADNH-UHFFFAOYSA-N
SMILES	Brc1[nH]c2c(c1)C(=O)CCNC2=O
Inchi	InChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13)
IUPAC	2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
Molecular Weight	241.97
Pubchem Id	11064594
Chembl Id	CHEMBL440356

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT012662	Dual specificity mitogen-activated protein kinase kinase 1	reviewed	Kinase	MAP2K1	-	2500	-	-
reviewed	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	-	539	-	-

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
Q02750	BXGT012662	Dual specificity mitogen-activated protein kinase kinase 1	reviewed	Kinase	MAP2K1	IC50	'='	2500	nM
Q02750	BXGT012662	Dual specificity mitogen-activated protein kinase kinase 1	reviewed	Kinase	MAP2K1	IC50	'='	539	nM
P04049	BXGT006133	RAF proto-oncogene serine/threonine-protein kinase	reviewed	Kinase	RAF1	IC50	'='	539	nM
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	IC50	'='	539	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05755	Vernonia arctioides	Vernonia arctioides	Others
BXGF06051	Echinocystis fabacea	Echinocystis fabacea	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}