acompound

Showing entry for Aristolactam Aiiia

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038007
Compound Name	Aristolactam Aiiia
Structure
Formula	C16H11NO4
InchiKey	PFXGXKFPTAJYHV-UHFFFAOYSA-N
SMILES	COc1c(O)cc2c3c1c1cc(O)ccc1cc3N=C2O
Inchi	InChI=1S/C16H11NO4/c1-21-15-12(19)6-10-13-11(17-16(10)20)4-7-2-3-8(18)5-9(7)14(13)15/h2-6,18-19H,1H3,(H,17,20)
IUPAC
Molecular Weight	281.07
Pubchem Id	10356352
Chembl Id	CHEMBL388956

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	BXGT019667	Aurora kinase B	reviewed	Kinase	AURKB	-	2140	-	-
reviewed	BXGT006445	Cyclin-dependent kinase 1	reviewed	Kinase	CDK1	-	200	-	-
reviewed	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	-	140	-	-
reviewed	BXGT006445	Cyclin-dependent kinase 1	reviewed	Kinase	CDK1	-	214	-	-
reviewed	BXGT007750	Cyclin-dependent kinase 4	reviewed	Kinase	CDK4	-	1420	-	-
reviewed	BXGT007750	Cyclin-dependent kinase 4	reviewed	Kinase	CDK4	-	2000	-	-
reviewed	BXGT004117	Aurora kinase A	reviewed	Kinase	AURKA	-	5000	-	-

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
Q96GD4	BXGT019667	Aurora kinase B	reviewed	Kinase	AURKB	IC50	'='	2140	nM
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	IC50	'='	140	nM
P06493	BXGT006445	Cyclin-dependent kinase 1	reviewed	Kinase	CDK1	IC50	'='	200	nM
P11802	BXGT007750	Cyclin-dependent kinase 4	reviewed	Kinase	CDK4	IC50	'='	2000	nM
P06493	BXGT006445	Cyclin-dependent kinase 1	reviewed	Kinase	CDK1	IC50	'='	214	nM
O14965	BXGT004117	Aurora kinase A	reviewed	Kinase	AURKA	IC50	'='	5000	nM
P11802	BXGT007750	Cyclin-dependent kinase 4	reviewed	Kinase	CDK4	IC50	'='	1420	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00446	Sugar apple	Annona squamosa	Fruits
BXGF00950	Aconitum vilmorini	Aconitum vilmorini	Others
BXGF02686	Aristolochia manshuriensis	Aristolochia manshuriensis	Medicinal Plant
BXGF02703	Fissistigma oldhamii	Fissistigma oldhamii	Others
BXGF03661	Fissistigma balansae	Fissistigma balansae	Others
BXGF05353	Piper kadsura	Piper kadsura	Others
BXGF06283	Mortonia palmeri	Mortonia palmeri	Others

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}