Showing entry for Harmol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0039019
Compound NameHarmol
Structure
FormulaC12H10N2O
InchiKeyLBBJNGFCXDOYMQ-UHFFFAOYSA-N
SMILESO=c1ccc2c(c1)[nH]c1c2cc[nH]c1C
InchiInChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,13-14H,1H3
IUPAC1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one
Molecular Weight198.08
Pubchem Id68094
Chembl IdCHEMBL486817
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 CHEMBL486817
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
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 15848 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 8199 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 25118 nM
Q92698 BXGT019362 DNA repair and recombination protein RAD54-like reviewed - RAD54L AC50 - 23890 nM
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 IC50 '=' 2000000 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 8912 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23715 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 5802 nM
P24941 BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 Inhibition '=' 69 %
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 35481 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
Q8TF76 BXGT018826 Serine/threonine-protein kinase haspin reviewed Kinase HASPIN IC50 '=' 770 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 31622 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Ki '=' 65000 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 8199 nM
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 25118 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 25118 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 39810 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 19952 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 28183 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 5623 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 5623 nM
Q00535 BXGT012534 Cyclin-dependent-like kinase 5 reviewed Kinase CDK5 Inhibition '=' 72 %
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 25118 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 15848 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 39810 nM
Q92630 BXGT019360 Dual specificity tyrosine-phosphorylation-regulated kinase 2 reviewed Kinase DYRK2 IC50 '=' 1500 nM
P06280 BXGT006433 Alpha-galactosidase A reviewed - GLA Potency '=' 39810 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 39810 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 28183 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 35481 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 7 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 28183 nM
P29030 BXGT009307 Endochitinase reviewed - Inhibition - - -
Q25615 BXGT013900 Chitinase unreviewed - IC50 '=' 7080 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 12589 nM
Q9H0H5 BXGT020436 Rac GTPase-activating protein 1 reviewed Enzyme modulator RACGAP1 IC50 - 44910 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 13335 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 31622 nM
P11308 BXGT007684 Transcriptional regulator ERG reviewed Transcription factor ERG Potency - 44668 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 28183 nM
P06280 BXGT006433 Alpha-galactosidase A reviewed - GLA Potency '=' 44668 nM
P01215 BXGT005743 Glycoprotein hormones alpha chain reviewed - CGA Potency - 1584 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 50118 nM
Q63470 BXGT016073 Dual specificity tyrosine-phosphorylation-regulated kinase 1A reviewed - Dyrk1a AC50 '=' 298 nM
P11308 BXGT007684 Transcriptional regulator ERG reviewed Transcription factor ERG Potency - 112201 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 35481 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 14581 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00087 Sea-buckthornberry Hippophae rhamnoides Fruits
BXGF00128 Passion fruit Passiflora edulis Fruits
BXGF00956 Passiflora incarnata Passiflora incarnata Medicinal Plant
BXGF01008 Peganum harmala Peganum harmala Medicinal Plant
BXGF02691 Trema dielsiana Trema dielsiana Others
BXGF05158 Elaeagnus angustifolia Elaeagnus angustifolia Medicinal Plant
BXGF05837 Tribulus terrestris Tribulus terrestris 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