Showing entry for 1H-Quinolin-2-One


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0048244
Compound Name1H-Quinolin-2-One
Structure
FormulaC9H7NO
InchiKeyLISFMEBWQUVKPJ-UHFFFAOYSA-N
SMILESOc1ccc2c(n1)cccc2
InchiInChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
IUPAC1H-quinolin-2-one
Molecular Weight145.05
Pubchem Id6038
Chembl IdCHEMBL186422
Targets of Information Source
DrugBank DB04745
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
O05935 BXGT003980 2-oxo-1,2-dihydroquinoline 8-monooxygenase, oxygenase component unreviewed - oxoO experimental -
PDB OCH
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
O05935 BXGT003980 2-oxo-1,2-dihydroquinoline 8-monooxygenase, oxygenase component unreviewed oxoO - - - - -
Binding DB 50366034
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 BXGT005690 Carbonic anhydrase 2 reviewed CA2 >200000 - - -
reviewed BXGT005689 Carbonic anhydrase 1 reviewed CA1 6230 - - -
reviewed BXGT022229 Carbonic anhydrase 5B, mitochondrial reviewed CA5B 750 - - -
reviewed BXGT006627 Carbonic anhydrase 3 reviewed CA3 570 - - -
reviewed BXGT010364 Carbonic anhydrase 7 reviewed CA7 420 - - -
reviewed BXGT009796 Carbonic anhydrase 5A, mitochondrial reviewed CA5A 410 - - -
reviewed BXGT008802 Carbonic anhydrase 4 reviewed CA4 360 - - -
reviewed BXGT004601 Carbonic anhydrase 12 reviewed CA12 93 - - -
reviewed BXGT013670 Carbonic anhydrase 9 reviewed CA9 82 - - -
reviewed BXGT018499 Carbonic anhydrase 13 reviewed CA13 65 - - -
reviewed BXGT021769 Carbonic anhydrase 14 reviewed CA14 36 - - -
reviewed BXGT008844 Carbonic anhydrase 6 reviewed CA6 33 - - -
CHEMBL CHEMBL186422
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
Q9ULX7 BXGT021769 Carbonic anhydrase 14 reviewed - CA14 Ki '=' 36 nM
O43570 BXGT004601 Carbonic anhydrase 12 reviewed - CA12 Ki '=' 93 nM
P08254 BXGT006758 Stromelysin-1 reviewed Enzyme MMP3 Inhibition '=' 3 %
P08253 BXGT006757 72 kDa type IV collagenase reviewed Enzyme MMP2 Inhibition '=' 5 %
Q9Y2D0 BXGT022229 Carbonic anhydrase 5B, mitochondrial reviewed - CA5B Ki '=' 750 nM
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '>' 200000 nM
P35218 BXGT009796 Carbonic anhydrase 5A, mitochondrial reviewed - CA5A Ki '=' 410 nM
Q8N1Q1 BXGT018499 Carbonic anhydrase 13 reviewed - CA13 Ki '=' 65 nM
P15917 BXGT008169 Lethal factor reviewed - lef Inhibition '=' 36 %
P22894 BXGT008815 Neutrophil collagenase reviewed Enzyme MMP8 Inhibition '=' 33 %
P29477 BXGT009355 Nitric oxide synthase, inducible reviewed - Nos2 Inhibition '=' 54 %
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '=' 6230 nM
P14780 BXGT008053 Matrix metalloproteinase-9 reviewed Enzyme MMP9 Inhibition '=' 5 %
P23280 BXGT008844 Carbonic anhydrase 6 reviewed - CA6 Ki '=' 33 nM
Q8CFK4 BXGT017932 Tyrosine-protein kinase unreviewed - Tec Kd - - -
P09917 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 Inhibition '=' 22 %
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 15811 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Inhibition '=' 5 %
P22748 BXGT008802 Carbonic anhydrase 4 reviewed - CA4 Ki '=' 360 nM
P07451 BXGT006627 Carbonic anhydrase 3 reviewed - CA3 Ki '=' 570 nM
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Ki '=' 82 nM
P43166 BXGT010364 Carbonic anhydrase 7 reviewed - CA7 Ki '=' 420 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 8436 nM
P03956 BXGT006120 Interstitial collagenase reviewed Enzyme MMP1 Inhibition '=' 20 %
Q9H2K2 BXGT020454 Poly [ADP-ribose] polymerase tankyrase-2 reviewed - TNKS2 IC50 '>' 20000 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '>' 10000 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 6309 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 12589 nM
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '>' 10000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02357 Euodia bodinieri Euodia bodinieri Others
BXGF02978 Tetradium ruticarpum Tetradium ruticarpum Medicinal Plant
BXGF05356 Euodia officinalis Euodia officinalis Others
BXGF06002 Euodia ruticarpa Euodia ruticarpa Others
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