acompound

Showing entry for (Z)-3-(4-Hydroxy-3,5-Dimethoxybenzylidene)Indolin-2-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0031296
Compound Name	(Z)-3-(4-Hydroxy-3,5-Dimethoxybenzylidene)Indolin-2-One
Structure
Formula	C17H15NO4
InchiKey	YSERLISPSDGHNH-GHXNOFRVSA-N
SMILES	COc1cc(/C=C/2\C(=Nc3c2cccc3)O)cc(c1O)OC
Inchi	InChI=1S/C17H15NO4/c1-21-14-8-10(9-15(22-2)16(14)19)7-12-11-5-3-4-6-13(11)18-17(12)20/h3-9,19H,1-2H3,(H,18,20)/b12-7-
IUPAC	(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
Molecular Weight	297.1
Pubchem Id	2437106
Chembl Id	CHEMBL2163553

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	BXGT005520	Dihydrofolate reductase	reviewed	Enzyme	DHFR	-	500	-	-

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
P00374	BXGT005520	Dihydrofolate reductase	reviewed	Enzyme	DHFR	Ka	'='	1	10'7/M
P00374	BXGT005520	Dihydrofolate reductase	reviewed	Enzyme	DHFR	Inhibition	'>'	90	%
P00374	BXGT005520	Dihydrofolate reductase	reviewed	Enzyme	DHFR	Activity	-	-	-
P04818	BXGT006269	Thymidylate synthase	reviewed	Enzyme	TYMS	Activity	-	-	-
P00374	BXGT005520	Dihydrofolate reductase	reviewed	Enzyme	DHFR	IC90	'='	1360	nM
P00374	BXGT005520	Dihydrofolate reductase	reviewed	Enzyme	DHFR	K	'='	1	10'7/M
P00374	BXGT005520	Dihydrofolate reductase	reviewed	Enzyme	DHFR	IC50	'='	500	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04978	Isatis indigotica	Isatis indigotica	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}