acompound

General Compound Information
BXGC Id	BXGC0047295
Compound Name	n.a
Structure
Formula	C14H8N2O2
InchiKey	JHPIJMUNSMWWAA-UHFFFAOYSA-N
SMILES	Oc1ccc2c(c1)n1c(=O)ccc3c1c2ccn3
Inchi	InChI=1S/C14H8N2O2/c17-8-1-2-9-10-5-6-15-11-3-4-13(18)16(14(10)11)12(9)7-8/h1-7,17H
IUPAC
Molecular Weight	236.06
Pubchem Id
Chembl Id	CHEMBL444160

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	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	-	6800	-	-

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
P49841	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	Activity	-	-	-
P49841	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	Inhibition	-	-	-
P49841	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	IC50	'='	6800	nM
P48729	BXGT010655	Casein kinase I isoform alpha	reviewed	Kinase	CSNK1A1	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01056	Geigeria schinzii	Geigeria schinzii	Others
BXGF01287	Papaver radicatum	Papaver radicatum	Others
BXGF01420	Pinus glauca	Pinus glauca	Others
BXGF01496	Ophryosporus charua	Ophryosporus charua	Others
BXGF01514	Blainvillea latifolia	Blainvillea latifolia	Others
BXGF01636	Prosopis kuntzei	Prosopis kuntzei	Medicinal Plant
BXGF01677	Leontice kiangnanensis	Leontice kiangnanensis	Others
BXGF01705	Cheilanthes marantae	Cheilanthes marantae	Others
BXGF01808	Helichrysum angustifolium	Helichrysum angustifolium	Others
BXGF01868	Vitex negundo	Vitex negundo	Medicinal Plant
BXGF03068	Stenocereus thurberi	Stenocereus thurberi	Human Edible Plant
BXGF03940	Pachycereus pringlei	Pachycereus pringlei	Human Edible Plant
BXGF05113	Bersama swinnyi	Bersama swinnyi	Others
BXGF05573	Goniothalamus undulatus	Goniothalamus undulatus	Others
BXGF05690	Pteris spinulosa	Pteris spinulosa	Others
BXGF06066	Nemuaron humboldtii	Nemuaron humboldtii	Others
BXGF06099	Lophocereus marginatus	Lophocereus marginatus	Medicinal Plant
BXGF06117	Helichrysum sutherlandii	Helichrysum sutherlandii	Medicinal Plant
BXGF06134	Aralidium pinnatifidum	Aralidium pinnatifidum	Others
BXGF06265	Euphorbia resinifera	Euphorbia resinifera	Medicinal Plant
BXGF06320	Eurycoma longifolia	Eurycoma longifolia	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}