Showing entry for Benzoin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0033130
Compound NameBenzoin
Structure
FormulaC14H12O2
InchiKeyISAOCJYIOMOJEB-UHFFFAOYSA-N
SMILESOC(C(=O)c1ccccc1)c1ccccc1
InchiInChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
IUPAC2-hydroxy-1,2-diphenylethanone
Molecular Weight212.08
Pubchem Id8400
Chembl IdCHEMBL190677
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 22728
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 BXGT005640 Coagulation factor XII reviewed Enzyme F12 2220 - - -
reviewed BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 7250 - - -
reviewed BXGT007803 Liver carboxylesterase 1 reviewed - >100000 - - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE >100000 - - -
reviewed BXGT006430 Cholinesterase reviewed BCHE >100000 - - -
reviewed BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 >100000 - - -
reviewed BXGT003942 Cocaine esterase reviewed Enzyme CES2 2220 - - -
reviewed BXGT003942 Cocaine esterase reviewed Enzyme CES2 2670 - - -
reviewed BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 7210 - - -
reviewed BXGT010302 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform reviewed Kinase PIK3CA - 2120000 - -
CHEMBL CHEMBL190677
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
P42336 BXGT010302 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform reviewed Kinase PIK3CA IC50 '=' 2120000 nM
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Ki '=' 2220 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki '>' 100000 nM
P23141 BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 Ki '=' 7250 nM
P23141 BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 Ki '>' 100000 nM
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Ki '=' 2670 nM
P06276 BXGT006430 Cholinesterase reviewed - BCHE Ki '>' 100000 nM
P23141 BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 Ki '=' 7210 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 12589 nM
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR Potency - 79 nM
P12337 BXGT007803 Liver carboxylesterase 1 reviewed - Ki '>' 100000 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 31622 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 35481 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 29849 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 4 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 17782 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00177 Sorghum Sorghum bicolor Cereals and cereal products
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