Showing entry for Benzylamine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0005794
Compound NameBenzylamine
Structure
FormulaC7H9N
InchiKeyWGQKYBSKWIADBV-UHFFFAOYSA-N
SMILESNCC1=CC=CC=C1
InchiInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
IUPACphenylmethanamine
Molecular Weight107.15
Pubchem Id7504
Chembl IdCHEMBL522
Targets of Information Source
DrugBank DB02464
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
P07478 BXGT006630 Trypsin-2 reviewed Enzyme PRSS2 experimental -
P07477 BXGT006629 Trypsin-1 reviewed Enzyme PRSS1 experimental -
PDB ABN
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
P00760 BXGT005644 Cationic trypsin reviewed - - - - -
P35031 BXGT009785 Trypsin-1 reviewed - - - 144000 -
P00760 BXGT005644 Cationic trypsin reviewed - - - 321000 -
P00760 BXGT005644 Cationic trypsin reviewed - 1580000 - - -
P00431 BXGT005533 Cytochrome c peroxidase, mitochondrial reviewed CCP1 - - - - -
P84887 BXGT012067 Aralkylamine dehydrogenase light chain reviewed aauA - - - - -
P12807 BXGT007846 Peroxisomal primary amine oxidase reviewed AMO - - - - -
P08709 BXGT006818 Coagulation factor VII reviewed F7 Enzyme - - - -
Binding DB 10999
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 BXGT012462 Cytochrome P450 130 reviewed cyp130 - - 9990000 -
reviewed BXGT012463 Cytochrome P450 130 reviewed cyp130 - - 9997000 -
reviewed BXGT012460 Steroid C26-monooxygenase reviewed cyp142 - - 100 -
reviewed BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT 179000 - - -
reviewed BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT 170000 - - -
reviewed BXGT008818 Alpha-2A adrenergic receptor reviewed Adra2a 9100 - - -
reviewed BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT 23500 - - -
reviewed BXGT006629 Trypsin-1 reviewed Enzyme PRSS1 299916251.9 - - -
CHEMBL CHEMBL522
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
P22909 BXGT008818 Alpha-2A adrenergic receptor reviewed - Adra2a Ki '=' 20000 nM
P19328 BXGT008473 Alpha-2B adrenergic receptor reviewed - Adra2b Ki '=' 20000 nM
P22086 BXGT008728 Alpha-2C adrenergic receptor reviewed - Adra2c Ki '=' 20000 nM
P56560 BXGT011180 Amine oxidase [flavin-containing] B reviewed - MAOB Ratio '=' 13 -
P11086 BXGT007652 Phenylethanolamine N-methyltransferase reviewed Enzyme PNMT pI50 '=' 3 M l-1
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Activity - - -
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Km '=' 780000 nM
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Ki '=' 179000 nM
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Ki '=' 170000 nM
Q64133 BXGT016109 Amine oxidase [flavin-containing] A reviewed - Maoa Inhibition '=' 2 (nM of H202) min-1 (ug of protein)-1
P56560 BXGT011180 Amine oxidase [flavin-containing] B reviewed - MAOB Ratio '=' 963 -
Q16853 BXGT013683 Membrane primary amine oxidase reviewed - AOC3 Activity '=' 100 %
Q16853 BXGT013683 Membrane primary amine oxidase reviewed - AOC3 Km '=' 224000 nM
P21396 BXGT008643 Amine oxidase [flavin-containing] A reviewed - Maoa Ratio '=' 2 -
P19643 BXGT008505 Amine oxidase [flavin-containing] B reviewed - Maob Ratio '=' 2 -
P21396 BXGT008643 Amine oxidase [flavin-containing] A reviewed - Maoa Vmax '=' 33600000 (nM of H202) min-1 (ug of protein)-1
P19643 BXGT008505 Amine oxidase [flavin-containing] B reviewed - Maob Vmax '=' 33600000 (nM of H202) min-1 (ug of protein)-1
Q64133 BXGT016109 Amine oxidase [flavin-containing] A reviewed - Maoa Inhibition '=' 87 %
Q9R1M7 BXGT021417 Glutamate receptor ionotropic, NMDA 3A reviewed - Grin3a Ratio Ki '=' 1 -
Q8VHN2 BXGT018931 Glutamate receptor ionotropic, NMDA 3B reviewed - Grin3b Ratio Ki '=' 1 -
Q62645 BXGT016035 Glutamate receptor ionotropic, NMDA 2D reviewed - Grin2d Ratio Ki '=' 1 -
Q00961 BXGT012556 Glutamate receptor ionotropic, NMDA 2C reviewed - Grin2c Ratio Ki '=' 1 -
Q00960 BXGT012555 Glutamate receptor ionotropic, NMDA 2B reviewed - Grin2b Ratio Ki '=' 1 -
Q00959 BXGT012554 Glutamate receptor ionotropic, NMDA 2A reviewed - Grin2a Ratio Ki '=' 1 -
P35439 BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed - Grin1 Ratio Ki '=' 1 -
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 11220 nM
P56560 BXGT011180 Amine oxidase [flavin-containing] B reviewed - MAOB Km '=' 290000 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA TN '=' 10 uM min-1
P07477 BXGT006629 Trypsin-1 reviewed Enzyme PRSS1 Ki '=' 299916251 nM
P19801 BXGT008516 Amiloride-sensitive amine oxidase [copper-containing] reviewed - AOC1 Km '=' 557000 nM
Q16853 BXGT013683 Membrane primary amine oxidase reviewed - AOC3 Vmax '=' 1653 nmol/ mL h
P55210 BXGT011110 Caspase-7 reviewed Enzyme CASP7 Activity - - -
P56560 BXGT011180 Amine oxidase [flavin-containing] B reviewed - MAOB TN '=' 283 uM min-1
Q16853 BXGT013683 Membrane primary amine oxidase reviewed - AOC3 Km '=' 124000 nM
P21396 BXGT008643 Amine oxidase [flavin-containing] A reviewed - Maoa Km '=' 168830 nM
P19643 BXGT008505 Amine oxidase [flavin-containing] B reviewed - Maob Km '=' 168830 nM
P19801 BXGT008516 Amiloride-sensitive amine oxidase [copper-containing] reviewed - AOC1 Vmax '=' 22 nmol/ mL h
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT pKa '=' 9 -
P42574 BXGT010317 Caspase-3 reviewed Enzyme CASP3 Activity - - -
O70423 BXGT005066 Membrane primary amine oxidase reviewed - Aoc3 Activity '=' 100 %
P56560 BXGT011180 Amine oxidase [flavin-containing] B reviewed - MAOB TN '=' 283 M min-1 M-1
P22909 BXGT008818 Alpha-2A adrenergic receptor reviewed - Adra2a Ki '=' 5 nM
P19328 BXGT008473 Alpha-2B adrenergic receptor reviewed - Adra2b Ki '=' 5 nM
P22086 BXGT008728 Alpha-2C adrenergic receptor reviewed - Adra2c Ki '=' 5 nM
Q9R1M7 BXGT021417 Glutamate receptor ionotropic, NMDA 3A reviewed - Grin3a Ki '=' 1063000 nM
Q8VHN2 BXGT018931 Glutamate receptor ionotropic, NMDA 3B reviewed - Grin3b Ki '=' 1063000 nM
Q62645 BXGT016035 Glutamate receptor ionotropic, NMDA 2D reviewed - Grin2d Ki '=' 1063000 nM
Q00961 BXGT012556 Glutamate receptor ionotropic, NMDA 2C reviewed - Grin2c Ki '=' 1063000 nM
Q00960 BXGT012555 Glutamate receptor ionotropic, NMDA 2B reviewed - Grin2b Ki '=' 1063000 nM
Q00959 BXGT012554 Glutamate receptor ionotropic, NMDA 2A reviewed - Grin2a Ki '=' 1063000 nM
P35439 BXGT009831 Glutamate receptor ionotropic, NMDA 1 reviewed - Grin1 Ki '=' 1063000 nM
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT pI50 '=' 3 M
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Ki '=' 5 nM
O35956 BXGT004543 Solute carrier family 22 member 6 reviewed - Slc22a6 Inhibition '=' 60 %
O70423 BXGT005066 Membrane primary amine oxidase reviewed - Aoc3 Km '=' 15400 nM
Q9Y4K0 BXGT022280 Lysyl oxidase homolog 2 reviewed - LOXL2 IC50 '=' 64700 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00015 Wild celery Apium graveolens Herbs and Spices
BXGF00072 Wild carrot Daucus carota Vegetables
BXGF00105 Apple Malus pumila Fruits
BXGF00178 Spinach Spinacia oleracea Vegetables
BXGF00205 Corn Zea mays Cereals and cereal products
BXGF00230 Carrot Daucus carota ssp. sativus Vegetables
BXGF00346 Horseradish tree Moringa oleifera Vegetables
BXGF00803 Cabbage Brassica oleracea var. capitata Vegetables
BXGF00816 Fats and oils Fats and oils
BXGF00818 Herbs and Spices Herbs and Spices
BXGF00824 Green vegetables 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