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33 similar compounds to monomer 50218897

Compile data set for download or QSAR
Wt: 388.2
BDBM7425
Wt: 319.3
BDBM7394
Wt: 291.3
BDBM7395
Wt: 398.2
BDBM7402
Wt: 370.2
BDBM7403
Wt: 353.7
BDBM7408
Wt: 445.2
BDBM7411
Wt: 345.3
BDBM7414
Wt: 337.3
BDBM7417
Wt: 412.2
BDBM7422
Wt: 351.3
BDBM50005337
Purchase
Wt: 356.1
BDBM50012188
Purchase
Wt: 555.2
BDBM50252764
Wt: 585.3
BDBM50252728
Wt: 599.3
BDBM50252730
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 56 hits for monomerid = 7425,7394,7395,7402,7403,7408,7411,7414,7417,7422,50005337,50012188,50252764,50252728,50252730   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7394
PNG
((2 Z,3 E)-Indirubin-3 -acetoxime | [(3E)-2-[(3Z)-2...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H13N3O3/c1-10(22)24-21-16-12-7-3-5-9-14(12)19-17(16)15-11-6-2-4-8-13(11)20-18(15)23/h2-9,19H,1H3,(H,20,23)
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n/an/a 700n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50005337
PNG
(CHEMBL1276317)
Show SMILES OCC(O)CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C19H17N3O4/c23-9-11(24)10-26-22-17-13-6-2-4-8-15(13)20-18(17)16-12-5-1-3-7-14(12)21-19(16)25/h1-8,11,20,23-24H,9-10H2,(H,21,25)/b18-16-,22-17+
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PubMed
n/an/a 540n/an/an/an/an/an/a



University of Kaiserslautern

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal His6-tagged CDK2/N-terminal GST-tagged CyclinA expressed in baculovirus infected sf21 cells after 10 mins ...


J Med Chem 60: 4949-4962 (2017)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7402
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -acetoxime | 6-bromoi...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 2.40E+3n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7403
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -methoxime | 6-bromo-...)
Show SMILES CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C17H12BrN3O2/c1-23-21-15-11-4-2-3-5-12(11)19-16(15)14-10-7-6-9(18)8-13(10)20-17(14)22/h2-8,19H,1H3,(H,20,22)/b16-14-,21-15+
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n/an/a 2.20E+3n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7408
PNG
((2 Z,3 E)-6-Chloroindirubin-3 -acetoxime | 6-chlor...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C18H12ClN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 200n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7411
PNG
((2 Z,3 E)-6-Iodoindirubin-3 -acetoxime | 6-iodoind...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(I)ccc12
Show InChI InChI=1S/C18H12IN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 1.30E+3n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7414
PNG
((2 Z,3 E)-6-Vinylindirubin-3 -acetoxime | 6-vinyli...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(C=C)ccc12
Show InChI InChI=1S/C20H15N3O3/c1-3-12-8-9-13-16(10-12)22-20(25)17(13)19-18(23-26-11(2)24)14-6-4-5-7-15(14)21-19/h3-10,21H,1H2,2H3,(H,22,25)
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n/an/a 400n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7417
PNG
((2 Z,3 E)-6-Fluoroindirubin-3 -acetoxime | 6-fluor...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(F)ccc12
Show InChI InChI=1S/C18H12FN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 300n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7422
PNG
((2 Z,3 E)-6-Bromo-5-methylindirubin-3 -acetoxime |...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)c(C)cc12
Show InChI InChI=1S/C19H14BrN3O3/c1-9-7-12-15(8-13(9)20)22-19(25)16(12)18-17(23-26-10(2)24)11-5-3-4-6-14(11)21-18/h3-8,21H,1-2H3,(H,22,25)
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n/an/a 3.00E+4n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7425
PNG
((2 Z,3 E)-5,6-Dichloroindirubin-3 -acetoxime | 6,5...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C18H11Cl2N3O3/c1-8(24)26-23-16-9-4-2-3-5-13(9)21-17(16)15-10-6-11(19)12(20)7-14(10)22-18(15)25/h2-7,21H,1H3,(H,22,25)
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n/an/a 100n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Porcine)
BDBM7394
PNG
((2 Z,3 E)-Indirubin-3 -acetoxime | [(3E)-2-[(3Z)-2...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H13N3O3/c1-10(22)24-21-16-12-7-3-5-9-14(12)19-17(16)15-11-6-2-4-8-13(11)20-18(15)23/h2-9,19H,1H3,(H,20,23)
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n/an/a 200n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Porcine)
BDBM7395
PNG
((2 Z,3 E)-Indirubin-3 -methoxime | 3-[(2Z,3E)-3-(m...)
Show SMILES CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,18H,1H3,(H,19,21)/b16-14-,20-15+
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n/an/a 150n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Porcine)
BDBM7402
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -acetoxime | 6-bromoi...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 10n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Porcine)
BDBM7403
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -methoxime | 6-bromo-...)
Show SMILES CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C17H12BrN3O2/c1-23-21-15-11-4-2-3-5-12(11)19-16(15)14-10-7-6-9(18)8-13(10)20-17(14)22/h2-8,19H,1H3,(H,20,22)/b16-14-,21-15+
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n/an/a 30n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Porcine)
BDBM7408
PNG
((2 Z,3 E)-6-Chloroindirubin-3 -acetoxime | 6-chlor...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C18H12ClN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 17n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Porcine)
BDBM7411
PNG
((2 Z,3 E)-6-Iodoindirubin-3 -acetoxime | 6-iodoind...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(I)ccc12
Show InChI InChI=1S/C18H12IN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 13n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Porcine)
BDBM7414
PNG
((2 Z,3 E)-6-Vinylindirubin-3 -acetoxime | 6-vinyli...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(C=C)ccc12
Show InChI InChI=1S/C20H15N3O3/c1-3-12-8-9-13-16(10-12)22-20(25)17(13)19-18(23-26-11(2)24)14-6-4-5-7-15(14)21-19/h3-10,21H,1H2,2H3,(H,22,25)
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n/an/a 65n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Porcine)
BDBM7417
PNG
((2 Z,3 E)-6-Fluoroindirubin-3 -acetoxime | 6-fluor...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(F)ccc12
Show InChI InChI=1S/C18H12FN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 90n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Porcine)
BDBM7422
PNG
((2 Z,3 E)-6-Bromo-5-methylindirubin-3 -acetoxime |...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)c(C)cc12
Show InChI InChI=1S/C19H14BrN3O3/c1-9-7-12-15(8-13(9)20)22-19(25)16(12)18-17(23-26-10(2)24)11-5-3-4-6-14(11)21-18/h3-8,21H,1-2H3,(H,22,25)
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n/an/a 7n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Porcine)
BDBM7425
PNG
((2 Z,3 E)-5,6-Dichloroindirubin-3 -acetoxime | 6,5...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C18H11Cl2N3O3/c1-8(24)26-23-16-9-4-2-3-5-13(9)21-17(16)15-10-6-11(19)12(20)7-14(10)22-18(15)25/h2-7,21H,1H3,(H,22,25)
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n/an/a 4n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7394
PNG
((2 Z,3 E)-Indirubin-3 -acetoxime | [(3E)-2-[(3Z)-2...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H13N3O3/c1-10(22)24-21-16-12-7-3-5-9-14(12)19-17(16)15-11-6-2-4-8-13(11)20-18(15)23/h2-9,19H,1H3,(H,20,23)
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n/an/a 1.20E+3n/an/an/an/a7.230



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7395
PNG
((2 Z,3 E)-Indirubin-3 -methoxime | 3-[(2Z,3E)-3-(m...)
Show SMILES CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C17H13N3O2/c1-22-20-15-11-7-3-5-9-13(11)18-16(15)14-10-6-2-4-8-12(10)19-17(14)21/h2-9,18H,1H3,(H,19,21)/b16-14-,20-15+
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n/an/a 1.00E+3n/an/an/an/a7.230



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7402
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -acetoxime | 6-bromoi...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 6.30E+4n/an/an/an/a7.230



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7403
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -methoxime | 6-bromo-...)
Show SMILES CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C17H12BrN3O2/c1-23-21-15-11-4-2-3-5-12(11)19-16(15)14-10-7-6-9(18)8-13(10)20-17(14)22/h2-8,19H,1H3,(H,20,22)/b16-14-,21-15+
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n/an/a 3.70E+3n/an/an/an/a7.230



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7408
PNG
((2 Z,3 E)-6-Chloroindirubin-3 -acetoxime | 6-chlor...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C18H12ClN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 3.00E+4n/an/an/an/a7.230



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7411
PNG
((2 Z,3 E)-6-Iodoindirubin-3 -acetoxime | 6-iodoind...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(I)ccc12
Show InChI InChI=1S/C18H12IN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 2.20E+3n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7414
PNG
((2 Z,3 E)-6-Vinylindirubin-3 -acetoxime | 6-vinyli...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(C=C)ccc12
Show InChI InChI=1S/C20H15N3O3/c1-3-12-8-9-13-16(10-12)22-20(25)17(13)19-18(23-26-11(2)24)14-6-4-5-7-15(14)21-19/h3-10,21H,1H2,2H3,(H,22,25)
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n/an/a 1.60E+3n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7417
PNG
((2 Z,3 E)-6-Fluoroindirubin-3 -acetoxime | 6-fluor...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(F)ccc12
Show InChI InChI=1S/C18H12FN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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n/an/a 600n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7422
PNG
((2 Z,3 E)-6-Bromo-5-methylindirubin-3 -acetoxime |...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)c(C)cc12
Show InChI InChI=1S/C19H14BrN3O3/c1-9-7-12-15(8-13(9)20)22-19(25)16(12)18-17(23-26-10(2)24)11-5-3-4-6-14(11)21-18/h3-8,21H,1-2H3,(H,22,25)
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n/an/a 3.10E+4n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7425
PNG
((2 Z,3 E)-5,6-Dichloroindirubin-3 -acetoxime | 6,5...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C18H11Cl2N3O3/c1-8(24)26-23-16-9-4-2-3-5-13(9)21-17(16)15-10-6-11(19)12(20)7-14(10)22-18(15)25/h2-7,21H,1H3,(H,22,25)
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n/an/a 3.00E+4n/an/an/an/an/a30



University of Athens



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 47: 935-46 (2004)


Article DOI: 10.1021/jm031016d
BindingDB Entry DOI: 10.7270/Q20G3HB8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50005337
PNG
(CHEMBL1276317)
Show SMILES OCC(O)CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C19H17N3O4/c23-9-11(24)10-26-22-17-13-6-2-4-8-15(13)20-18(17)16-12-5-1-3-7-14(12)21-19(16)25/h1-8,11,20,23-24H,9-10H2,(H,21,25)/b18-16-,22-17+
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n/an/a 430n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Src


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LO assessed as product formation by cell-free assay relative to control


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 2.5 uM A23187 ionophore


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human neutrophils assessed as product formation by cell-intact assay relative to control in presence of 20 uM A23187/AA ionopho...


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in LPS-stimulated human neutrophils assessed as reduction in HETE formation


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 500n/an/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in fMLP-stimulated human monocytes assessed as reduction in HETE formation


J Med Chem 57: 3715-23 (2014)


Article DOI: 10.1021/jm401740w
BindingDB Entry DOI: 10.7270/Q2NS0WGG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 320n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP


J Nat Prod 77: 1117-22 (2014)


Article DOI: 10.1021/np400856h
BindingDB Entry DOI: 10.7270/Q2765GW6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 85n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP


J Nat Prod 77: 1117-22 (2014)


Article DOI: 10.1021/np400856h
BindingDB Entry DOI: 10.7270/Q2765GW6
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 2.10E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of CLK1 (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP


J Nat Prod 77: 1117-22 (2014)


Article DOI: 10.1021/np400856h
BindingDB Entry DOI: 10.7270/Q2765GW6
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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n/an/a 52n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) assessed as inhibition of phosphate incorporation into substrate in presence of radiolabeled ATP


J Nat Prod 77: 1117-22 (2014)


Article DOI: 10.1021/np400856h
BindingDB Entry DOI: 10.7270/Q2765GW6
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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PubMed
n/an/a 900n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora B kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50252728
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-piperazine-1-y...)
Show SMILES Cl.Cl.OCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
Show InChI InChI=1S/C22H22BrN5O2/c23-14-5-6-15-18(13-14)26-22(29)19(15)21-20(16-3-1-2-4-17(16)25-21)27-30-12-11-28-9-7-24-8-10-28/h1-6,13,24-25H,7-12H2,(H,26,29)/b21-19-,27-20+
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PubMed
n/an/a 300n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


J Med Chem 51: 6421-31 (2008)


Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50252764
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-{O-[2-(4-methyl-pipe...)
Show SMILES Cl.Cl.CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
Show InChI InChI=1S/C23H24BrN5O2/c1-28-8-10-29(11-9-28)12-13-31-27-21-17-4-2-3-5-18(17)25-22(21)20-16-7-6-15(24)14-19(16)26-23(20)30/h2-7,14,25H,8-13H2,1H3,(H,26,30)/b22-20-,27-21+
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PubMed
n/an/a 400n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


J Med Chem 51: 6421-31 (2008)


Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50252730
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[4-(2-methoxye...)
Show SMILES Cl.Cl.COCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
Show InChI InChI=1S/C25H28BrN5O3/c1-33-14-12-30-8-10-31(11-9-30)13-15-34-29-23-19-4-2-3-5-20(19)27-24(23)22-18-7-6-17(26)16-21(18)28-25(22)32/h2-7,16,27H,8-15H2,1H3,(H,28,32)/b24-22-,29-23+
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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


J Med Chem 51: 6421-31 (2008)


Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50252730
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-(O-{2-[4-(2-methoxye...)
Show SMILES Cl.Cl.COCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
Show InChI InChI=1S/C25H28BrN5O3/c1-33-14-12-30-8-10-31(11-9-30)13-15-34-29-23-19-4-2-3-5-20(19)27-24(23)22-18-7-6-17(26)16-21(18)28-25(22)32/h2-7,16,27H,8-15H2,1H3,(H,28,32)/b24-22-,29-23+
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PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


J Med Chem 51: 6421-31 (2008)


Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50252764
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-{O-[2-(4-methyl-pipe...)
Show SMILES Cl.Cl.CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
Show InChI InChI=1S/C23H24BrN5O2/c1-28-8-10-29(11-9-28)12-13-31-27-21-17-4-2-3-5-18(17)25-22(21)20-16-7-6-15(24)14-19(16)26-23(20)30/h2-7,14,25H,8-13H2,1H3,(H,26,30)/b22-20-,27-21+
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PubMed
n/an/a 300n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


J Med Chem 51: 6421-31 (2008)


Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50252728
PNG
((2'Z-3'E)-6-Bromoindirubin-3'-[O-(2-piperazine-1-y...)
Show SMILES Cl.Cl.OCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
Show InChI InChI=1S/C22H22BrN5O2/c23-14-5-6-15-18(13-14)26-22(29)19(15)21-20(16-3-1-2-4-17(16)25-21)27-30-12-11-28-9-7-24-8-10-28/h1-6,13,24-25H,7-12H2,(H,26,29)/b21-19-,27-20+
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PubMed
n/an/a 400n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


J Med Chem 51: 6421-31 (2008)


Article DOI: 10.1021/jm800648y
BindingDB Entry DOI: 10.7270/Q22808JG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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PubMed
n/an/a 200n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora C kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50012188
PNG
(6BIO)
Show SMILES O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
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PubMed
n/an/a 600n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aurora A kinase


J Med Chem 50: 4027-37 (2007)


Article DOI: 10.1021/jm070077z
BindingDB Entry DOI: 10.7270/Q2PC323X
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM7402
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -acetoxime | 6-bromoi...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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PubMed
n/an/an/an/a 160n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human aryl hydrocarbon receptor


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
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