acompound

Showing entry for 6-Bromo-1H-Indole-3-Carbaldehyde

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0013718
Compound Name	6-Bromo-1H-Indole-3-Carbaldehyde
Structure
Formula	C9H6BrNO
InchiKey	WCCLQCBKBPTODV-UHFFFAOYSA-N
SMILES	O=Cc1c[nH]c2c1ccc(c2)Br
Inchi	InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H
IUPAC	6-bromo-1H-indole-3-carbaldehyde
Molecular Weight	222.96
Pubchem Id	2794830
Chembl Id	CHEMBL3358229

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	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	-	57000	-	-
reviewed	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	3300	-	-	-

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
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Ki	'='	3300	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Inhibition	-	-	-
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	IC50	'='	57000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04922	Euphorbia ebracteolata	Euphorbia ebracteolata	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}