Showing entry for Esterase


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0003365
Compound NameEsterase
Structure
FormulaC8H14BrNO2
InchiKeyAXOJRQLKMVSHHZ-UHFFFAOYSA-N
SMILESBr.COC(=O)C1=CCCN(C)C1
InchiInChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H
IUPACmethyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrobromide
Molecular Weight236.11
Pubchem Id9301
Chembl IdCHEMBL449209
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 n.a
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
CHEMBL CHEMBL449209
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
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 112 %
Q7T1G6 BXGT017135 Ion channel NompC unreviewed - trpn1 EC50 '>' 29900 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 1122 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 89125 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 22 nM
P25101 BXGT009018 Endothelin-1 receptor reviewed G-protein coupled receptor EDNRA Relaxation '>' 50 %
Q8VH26 BXGT018927 Muscarinic acetylcholine receptor unreviewed - GPM3 Contraction '>' 50 %
Q9QUQ5 BXGT021378 Short transient receptor potential channel 4 reviewed - Trpc4 EC50 - 6682 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 0 %
Q8TDD5 BXGT018809 Mucolipin-3 reviewed Ion channel MCOLN3 EC50 '=' 2260 nM
Q9WKE8 BXGT021921 Reverse transcriptase unreviewed - reverse IC50 '>' 200 ug.mL-1
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 16 %
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 163 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 461 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 103 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00081 Fig Ficus carica Fruits
BXGF00085 Soy bean Glycine max Soy
BXGF00125 Rice Oryza sativa Cereals and cereal products
BXGF00187 Common wheat Triticum aestivum Cereals and cereal products
BXGF00363 Wild leek Allium ampeloprasum Vegetables
BXGF00803 Cabbage Brassica oleracea var. capitata Vegetables
BXGF00839 White cabbage Brassica oleracea L. var. capitata L. f. alba DC. Vegetables
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