Showing entry for Indirubin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0040305
Compound NameIndirubin
Structure
FormulaC16H10N2O2
InchiKeyCRDNMYFJWFXOCH-YPKPFQOOSA-N
SMILESO=C1/C(=C\2/C(=Nc3c2cccc3)O)/Nc2c1cccc2
InchiInChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13-
IUPAC(3Z)-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one
Molecular Weight262.07
Pubchem Id
Chembl IdCHEMBL1276127
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 7392
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 BXGT012534 Cyclin-dependent-like kinase 5 reviewed Kinase CDK5 - 10000 - -
reviewed BXGT011342 Cell division control protein 42 homolog reviewed Enzyme modulator CDC42 - - - 30000
reviewed BXGT008372 Ras-related protein Rab-7a reviewed RAB7A - - - 30000
reviewed BXGT011482 Ras-related C3 botulinum toxin substrate 1 reviewed Rac1 - - - 30000
reviewed BXGT011359 Ras-related protein Rab-2A reviewed RAB2A - - - 30000
reviewed BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 - 2000 - -
reviewed BXGT005331 Serine/threonine-protein kinase 17B reviewed Kinase STK17B - >10000 - -
CHEMBL CHEMBL1276127
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
Q27686 BXGT013930 Pyruvate kinase reviewed - PYK Potency '=' 17782 nM
Q15078 BXGT013534 Cyclin-dependent kinase 5 activator 1 reviewed Enzyme modulator CDK5R1 IC50 '=' 5500 nM
Q00535 BXGT012534 Cyclin-dependent-like kinase 5 reviewed Kinase CDK5 IC50 '=' 5500 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 19952 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 89125 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 89125 nM
P17538 BXGT008314 Chymotrypsinogen B reviewed Enzyme CTRB1 IC50 '=' 100000 nM
P49841 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B IC50 '=' 1000 nM
P49840 BXGT010749 Glycogen synthase kinase-3 alpha reviewed Kinase GSK3A IC50 '=' 1000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 100 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 1122 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 1122 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 31622 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 5623 nM
O95067 BXGT005347 G2/mitotic-specific cyclin-B2 reviewed Enzyme modulator CCNB2 IC50 '=' 10000 nM
Q8WWL7 BXGT019000 G2/mitotic-specific cyclin-B3 reviewed Enzyme modulator CCNB3 IC50 '=' 10000 nM
P14635 BXGT008031 G2/mitotic-specific cyclin-B1 reviewed Enzyme modulator CCNB1 IC50 '=' 10000 nM
P06493 BXGT006445 Cyclin-dependent kinase 1 reviewed Kinase CDK1 IC50 '=' 10000 nM
Q15078 BXGT013534 Cyclin-dependent kinase 5 activator 1 reviewed Enzyme modulator CDK5R1 IC50 '=' 10000 nM
Q00535 BXGT012534 Cyclin-dependent-like kinase 5 reviewed Kinase CDK5 IC50 '=' 10000 nM
P49841 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B IC50 '=' 2500 nM
P49840 BXGT010749 Glycogen synthase kinase-3 alpha reviewed Kinase GSK3A IC50 '=' 2500 nM
P24941 BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 IC50 '=' 2200 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Change in IC50 '=' 4 fold
P06493 BXGT006445 Cyclin-dependent kinase 1 reviewed Kinase CDK1 IC50 '=' 10000 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 100000 nM
P21980 BXGT008715 Protein-glutamine gamma-glutamyltransferase 2 reviewed Enzyme TGM2 IC50 '>' 100000 nM
P24385 BXGT008965 G1/S-specific cyclin-D1 reviewed Enzyme modulator CCND1 IC50 '=' 12000 nM
P11802 BXGT007750 Cyclin-dependent kinase 4 reviewed Kinase CDK4 IC50 '=' 12000 nM
O95067 BXGT005347 G2/mitotic-specific cyclin-B2 reviewed Enzyme modulator CCNB2 IC50 '=' 6500 nM
Q8WWL7 BXGT019000 G2/mitotic-specific cyclin-B3 reviewed Enzyme modulator CCNB3 IC50 '=' 6500 nM
P14635 BXGT008031 G2/mitotic-specific cyclin-B1 reviewed Enzyme modulator CCNB1 IC50 '=' 6500 nM
P06493 BXGT006445 Cyclin-dependent kinase 1 reviewed Kinase CDK1 IC50 '=' 6500 nM
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC IC50 '=' 18000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 251 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 125 nM
P10584 BXGT007580 Malate dehydrogenase reviewed - mdh IC50 '=' 30000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 89 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Change in IC50 '>' 50 fold
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 141 nM
Q15078 BXGT013534 Cyclin-dependent kinase 5 activator 1 reviewed Enzyme modulator CDK5R1 IC50 '=' 5000 nM
Q00535 BXGT012534 Cyclin-dependent-like kinase 5 reviewed Kinase CDK5 IC50 '=' 5000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 398 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 3548 nM
P49841 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B IC50 '=' 5 nM
P49841 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B IC50 '=' 4 nM
Q00534 BXGT012533 Cyclin-dependent kinase 6 reviewed Kinase CDK6 IC50 - - -
P30281 BXGT009416 G1/S-specific cyclin-D3 reviewed Enzyme modulator CCND3 IC50 - - -
P36888 BXGT009938 Receptor-type tyrosine-protein kinase FLT3 reviewed Kinase FLT3 IC50 '>' 10000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 199 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 7 %
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 13 %
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 39810 nM
O94768 BXGT005331 Serine/threonine-protein kinase 17B reviewed Kinase STK17B IC50 '>' 10000 nM
P08069 BXGT006723 Insulin-like growth factor 1 receptor reviewed Kinase IGF1R IC50 '>' 1000000 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 50118 nM
P14635 BXGT008031 G2/mitotic-specific cyclin-B1 reviewed Enzyme modulator CCNB1 IC50 '=' 20000 nM
P06493 BXGT006445 Cyclin-dependent kinase 1 reviewed Kinase CDK1 IC50 '=' 20000 nM
P24941 BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 IC50 '=' 7500 nM
P24864 BXGT009000 G1/S-specific cyclin-E1 reviewed Enzyme modulator CCNE1 IC50 '=' 7500 nM
P20248 BXGT008554 Cyclin-A2 reviewed Enzyme modulator CCNA2 IC50 '=' 7500 nM
Q9NYV4 BXGT021262 Cyclin-dependent kinase 12 reviewed Kinase CDK12 IC50 '=' 2200 nM
Q8IZL9 BXGT026139 Cyclin-dependent kinase 20 reviewed Kinase CDK20 IC50 '=' 2200 nM
Q14004 BXGT013435 Cyclin-dependent kinase 13 reviewed Kinase CDK13 IC50 '=' 2200 nM
Q15131 BXGT013545 Cyclin-dependent kinase 10 reviewed Kinase CDK10 IC50 '=' 2200 nM
P50750 BXGT010818 Cyclin-dependent kinase 9 reviewed Kinase CDK9 IC50 '=' 2200 nM
O94921 BXGT005341 Cyclin-dependent kinase 14 reviewed Kinase CDK14 IC50 '=' 2200 nM
Q9BWU1 BXGT020156 Cyclin-dependent kinase 19 reviewed Kinase CDK19 IC50 '=' 2200 nM
Q96Q40 BXGT019714 Cyclin-dependent kinase 15 reviewed Kinase CDK15 IC50 '=' 2200 nM
P21127 BXGT008623 Cyclin-dependent kinase 11B reviewed Kinase CDK11B IC50 '=' 2200 nM
Q00537 BXGT012536 Cyclin-dependent kinase 17 reviewed Kinase CDK17 IC50 '=' 2200 nM
P49336 BXGT010697 Cyclin-dependent kinase 8 reviewed Kinase CDK8 IC50 '=' 2200 nM
Q07002 BXGT012908 Cyclin-dependent kinase 18 reviewed Kinase CDK18 IC50 '=' 2200 nM
Q00536 BXGT012535 Cyclin-dependent kinase 16 reviewed Kinase CDK16 IC50 '=' 2200 nM
Q00526 BXGT012531 Cyclin-dependent kinase 3 reviewed Kinase CDK3 IC50 '=' 2200 nM
P50613 BXGT010815 Cyclin-dependent kinase 7 reviewed Kinase CDK7 IC50 '=' 2200 nM
Q00534 BXGT012533 Cyclin-dependent kinase 6 reviewed Kinase CDK6 IC50 '=' 2200 nM
Q00535 BXGT012534 Cyclin-dependent-like kinase 5 reviewed Kinase CDK5 IC50 '=' 2200 nM
P24941 BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 IC50 '=' 2200 nM
P11802 BXGT007750 Cyclin-dependent kinase 4 reviewed Kinase CDK4 IC50 '=' 2200 nM
P06493 BXGT006445 Cyclin-dependent kinase 1 reviewed Kinase CDK1 IC50 '=' 2200 nM
P20248 BXGT008554 Cyclin-A2 reviewed Enzyme modulator CCNA2 IC50 '=' 2200 nM
P24941 BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 IC50 '=' 2200 nM
P49841 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B IC50 '=' 600 nM
P24864 BXGT009000 G1/S-specific cyclin-E1 reviewed Enzyme modulator CCNE1 IC50 '=' 2200 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00867 Crotalaria paniculata Crotalaria paniculata Medicinal Plant
BXGF04978 Isatis indigotica Isatis indigotica Medicinal Plant
BXGF05289 Allium macrostemon Allium macrostemon Medicinal Plant
BXGF05658 Spiraea japonica Spiraea japonica Medicinal Plant
BXGF05995 Geijera parviflora Geijera parviflora 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