acompound

Showing entry for n.a

General Compound Information
BXGC Id	BXGC0026362
Compound Name	n.a
Structure
Formula	C14H8N2O2
InchiKey	KXFAUPPCQVBDBN-UHFFFAOYSA-N
SMILES	Oc1cccc2c1c1ccnc3c1n2c(=O)cc3
Inchi	InChI=1S/C14H8N2O2/c17-11-3-1-2-10-13(11)8-6-7-15-9-4-5-12(18)16(10)14(8)9/h1-7,17H
IUPAC
Molecular Weight	236.06
Pubchem Id
Chembl Id	CHEMBL504142

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

n.a

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

CHEMBL

CHEMBL504142

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
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	9196	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	20596	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	18356	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	1258	nM
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	17782	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	9200	nM
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	50	%
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	20596	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	22387	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	89125	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00352	Japanese chestnut	Castanea crenata	Nuts
BXGF01003	Carpobrotus edulis	Carpobrotus edulis	Medicinal Plant
BXGF01056	Geigeria schinzii	Geigeria schinzii	Others
BXGF01062	Asplenium normale	Asplenium normale	Others
BXGF01137	Centrolobium tomentosum	Centrolobium tomentosum	Others
BXGF01201	Psilostrophe cooperi	Psilostrophe cooperi	Others
BXGF01287	Papaver radicatum	Papaver radicatum	Others
BXGF01305	Trifolium alexandrinum	Trifolium alexandrinum	Medicinal Plant
BXGF01420	Pinus glauca	Pinus glauca	Others
BXGF01496	Ophryosporus charua	Ophryosporus charua	Others
BXGF01507	Sideritis tragoriganum	Sideritis tragoriganum	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
BXGF01778	Solanum jamaicense	Solanum jamaicense	Others
BXGF01808	Helichrysum angustifolium	Helichrysum angustifolium	Others
BXGF01868	Vitex negundo	Vitex negundo	Medicinal Plant
BXGF01895	Lippia carviodora	Lippia carviodora	Medicinal Plant
BXGF01912	Ceratophyllum submersum	Ceratophyllum submersum	Others
BXGF01936	Brucea javanica	Brucea javanica	Medicinal Plant
BXGF01971	Myrica nana	Myrica nana	Others
BXGF02061	Dracocephalum kotschyi	Dracocephalum kotschyi	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}