Showing entry for 2-Bromo-1-Phenylethanone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0042409
Compound Name2-Bromo-1-Phenylethanone
Structure
FormulaC8H7BrO
InchiKeyLIGACIXOYTUXAW-UHFFFAOYSA-N
SMILESBrCC(=O)c1ccccc1
InchiInChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
IUPAC2-bromo-1-phenylethanone
Molecular Weight197.97
Pubchem Id6259
Chembl IdCHEMBL102953
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 7875
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 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 81000 - - -
reviewed BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B - 5000 - -
CHEMBL CHEMBL102953
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
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 kinact '=' 0 min-1
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Ratio '=' 7100 M-1 min-1
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Ki '=' 81000 nM
P22612 BXGT008785 cAMP-dependent protein kinase catalytic subunit gamma reviewed Kinase PRKACG IC50 '>' 100000 nM
P17612 BXGT008322 cAMP-dependent protein kinase catalytic subunit alpha reviewed Kinase PRKACA IC50 '>' 100000 nM
P22694 BXGT008797 cAMP-dependent protein kinase catalytic subunit beta reviewed Kinase PRKACB IC50 '>' 100000 nM
P49841 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B IC50 '=' 5000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00204 Common grape Vitis vinifera Fruits
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