Showing entry for debromohymenialdisine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0046919
Compound Namedebromohymenialdisine
Structure
FormulaC11H11N5O2
InchiKeyJYRJOQGKGMHTOO-UHFFFAOYSA-N
SMILESN=C1NC(=O)C(=C2CCNC(=O)c3c2cc[nH]3)N1
InchiInChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
IUPAC4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
Molecular Weight245.09
Pubchem Id135525717
Chembl Id
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 16591
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 BXGT004092 Serine/threonine-protein kinase Chk1 reviewed Kinase CHEK1 659 - - -
reviewed BXGT004092 Serine/threonine-protein kinase Chk1 reviewed Kinase CHEK1 - 353 - -
reviewed BXGT006445 Cyclin-dependent kinase 1 reviewed Kinase CDK1 - 266 - -
reviewed BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 - 856 - -
reviewed BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B - 168 - -
reviewed BXGT004177 3-phosphoinositide-dependent protein kinase 1 reviewed Kinase PDPK1 - 8830 - -
reviewed BXGT009574 RAC-alpha serine/threonine-protein kinase reviewed Kinase AKT1 - >50000 - -
reviewed BXGT008322 cAMP-dependent protein kinase catalytic subunit alpha reviewed Kinase PRKACA - 190 - -
reviewed BXGT013534 Cyclin-dependent kinase 5 activator 1 reviewed Enzyme modulator CDK5R1 - 112 - -
reviewed BXGT006445 Cyclin-dependent kinase 1 reviewed Kinase CDK1 - 250 - -
reviewed BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B - 111 - -
reviewed BXGT004092 Serine/threonine-protein kinase Chk1 reviewed Kinase CHEK1 - 3000 - -
reviewed BXGT004092 Serine/threonine-protein kinase Chk1 reviewed Kinase CHEK1 - 725 - -
reviewed BXGT004092 Serine/threonine-protein kinase Chk1 reviewed Kinase CHEK1 - 330 - -
reviewed BXGT004092 Serine/threonine-protein kinase Chk1 reviewed Kinase CHEK1 - 725 - -
reviewed BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 - 824 - -
reviewed BXGT005415 Serine/threonine-protein kinase Chk2 reviewed Kinase CHEK2 - 183 - -
reviewed BXGT005415 Serine/threonine-protein kinase Chk2 reviewed Kinase CHEK2 - 183 - -
reviewed BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 - 824 - -
reviewed BXGT012662 Dual specificity mitogen-activated protein kinase kinase 1 reviewed Kinase MAP2K1 - 2500 - -
reviewed BXGT005415 Serine/threonine-protein kinase Chk2 reviewed Kinase CHEK2 - 3500 - -
CHEMBL n.a
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
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF05755 Vernonia arctioides Vernonia arctioides Others
BXGF06051 Echinocystis fabacea Echinocystis fabacea 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