acompound

Showing entry for Benzyl thiocyanate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0006214
Compound Name	Benzyl thiocyanate
Structure
Formula	C8H7NS
InchiKey	ABNDFSOIUFLJAH-UHFFFAOYSA-N
SMILES	N#CSCC1=CC=CC=C1
Inchi	InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
IUPAC	(benzylsulfanyl)carbonitrile
Molecular Weight	149.21
Pubchem Id	18170
Chembl Id	CHEMBL2251721

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	BXGT007991	Macrophage migration inhibitory factor	reviewed		MIF	-	>100000	-	-

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
P14174	BXGT007991	Macrophage migration inhibitory factor	reviewed	-	MIF	IC50	'>'	100000	nM
P14174	BXGT007991	Macrophage migration inhibitory factor	reviewed	-	MIF	IC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00099	Garden cress	Lepidium sativum	Vegetables
BXGF00809	Brassicas		Vegetables
BXGF00908	Tropaeolum majus	Tropaeolum majus	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}