Showing entry for isoquinoline


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0018317
Compound Nameisoquinoline
Structure
FormulaC9H7N
InchiKeyAWJUIBRHMBBTKR-UHFFFAOYSA-N
SMILESc1ccc2c(c1)cncc2
InchiInChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
IUPACisoquinoline
Molecular Weight129.06
Pubchem Id8405
Chembl IdCHEMBL12315
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 ISQ
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
P02240 BXGT005867 Leghemoglobin-2 reviewed - - - - -
Q81HX3 BXGT017327 Transcriptional regulator, MarR family unreviewed BC_0657 - - - - -
P25321 BXGT009037 cAMP-dependent protein kinase catalytic subunit alpha reviewed PRKACA - - - - -
Binding DB 60921
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 BXGT010170 Nicotinamide N-methyltransferase reviewed Enzyme NNMT 202000000 - - -
CHEMBL CHEMBL12315
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
Q13464 BXGT013357 Rho-associated protein kinase 1 reviewed Kinase ROCK1 Activity '=' 70 %
P23977 BXGT008936 Sodium-dependent dopamine transporter reviewed - Slc6a3 DA release '=' 18 %
P23977 BXGT008936 Sodium-dependent dopamine transporter reviewed - Slc6a3 DA release '=' 0 %
Q9ES14 BXGT020314 Gamma-aminobutyric acid receptor subunit epsilon reviewed - Gabre Ki '>' 100000 nM
Q91ZM7 BXGT019327 GABA theta subunit unreviewed - Gabrq Ki '>' 100000 nM
P63138 BXGT011502 Gamma-aminobutyric acid receptor subunit beta-2 reviewed - Gabrb2 Ki '>' 100000 nM
P63079 BXGT011491 Gamma-aminobutyric acid receptor subunit beta-3 reviewed - Gabrb3 Ki '>' 100000 nM
P62813 BXGT011460 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed - Gabra1 Ki '>' 100000 nM
P30191 BXGT009410 Gamma-aminobutyric acid receptor subunit alpha-6 reviewed - Gabra6 Ki '>' 100000 nM
P28473 BXGT009261 Gamma-aminobutyric acid receptor subunit gamma-3 reviewed - Gabrg3 Ki '>' 100000 nM
P28471 BXGT009259 Gamma-aminobutyric acid receptor subunit alpha-4 reviewed - Gabra4 Ki '>' 100000 nM
P23576 BXGT008885 Gamma-aminobutyric acid receptor subunit alpha-2 reviewed - Gabra2 Ki '>' 100000 nM
P23574 BXGT008884 Gamma-aminobutyric acid receptor subunit gamma-1 reviewed - Gabrg1 Ki '>' 100000 nM
P20236 BXGT008551 Gamma-aminobutyric acid receptor subunit alpha-3 reviewed - Gabra3 Ki '>' 100000 nM
P19969 BXGT008536 Gamma-aminobutyric acid receptor subunit alpha-5 reviewed - Gabra5 Ki '>' 100000 nM
P18508 BXGT008412 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed - Gabrg2 Ki '>' 100000 nM
P18506 BXGT008410 Gamma-aminobutyric acid receptor subunit delta reviewed - Gabrd Ki '>' 100000 nM
P15431 BXGT008122 Gamma-aminobutyric acid receptor subunit beta-1 reviewed - Gabrb1 Ki '>' 100000 nM
O09028 BXGT004049 Gamma-aminobutyric acid receptor subunit pi reviewed - Gabrp Ki '>' 100000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01973 Lonicera japonica Lonicera japonica Medicinal Plant
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