Showing entry for Phenylisothiocyanate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0049146
Compound NamePhenylisothiocyanate
Structure
FormulaC7H5NS
InchiKeyQKFJKGMPGYROCL-UHFFFAOYSA-N
SMILESS=C=Nc1ccccc1
InchiInChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
IUPACisothiocyanatobenzene
Molecular Weight135.01
Pubchem Id7673
Chembl IdCHEMBL309036
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 50073665
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 - 11000 - -
CHEMBL CHEMBL309036
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 '=' 11000 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Activity - - -
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 Inhibition '=' 34 %
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 Inhibition '=' 5 %
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00027 Chinese mustard Brassica juncea Vegetables
BXGF03130 Panax quinquefolius Panax quinquefolius 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