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PubMed code 21807510

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50352490
PNG
(CHEMBL1824331)
Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2cccnc2F)cc1
Show InChI InChI=1S/C19H17FN4O2/c1-26-15-6-4-13(5-7-15)12-23-19(25)24-17-11-14(8-10-21-17)16-3-2-9-22-18(16)20/h2-11H,12H2,1H3,(H2,21,23,24,25)
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n/an/a 98n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human GSK3alpha activity using Ser/Thr 11 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50352494
PNG
(CHEMBL1824332)
Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C17H15N7O2S/c1-26-12-5-2-10(3-6-12)9-18-16(25)20-17-19-13-7-4-11(8-14(13)27-17)15-21-23-24-22-15/h2-8H,9H2,1H3,(H2,18,19,20,25)(H,21,22,23,24)
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n/an/a 1.30E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human GSK3alpha activity using Ser/Thr 11 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50352494
PNG
(CHEMBL1824332)
Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C17H15N7O2S/c1-26-12-5-2-10(3-6-12)9-18-16(25)20-17-19-13-7-4-11(8-14(13)27-17)15-21-23-24-22-15/h2-8H,9H2,1H3,(H2,18,19,20,25)(H,21,22,23,24)
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n/an/a 1.40E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50352492
PNG
(CHEMBL1824540)
Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-2-10(3-6-12)9-17-15(21)19-16-18-13-7-4-11(20(22)23)8-14(13)25-16/h2-8H,9H2,1H3,(H2,17,18,19,21)
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n/an/a 2.20E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human GSK3alpha activity using Ser/Thr 11 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a 3.30E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50352493
PNG
(CHEMBL1824334)
Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C15H15N7O2/c1-24-12-4-2-10(3-5-12)9-17-15(23)18-13-8-11(6-7-16-13)14-19-21-22-20-14/h2-8H,9H2,1H3,(H2,16,17,18,23)(H,19,20,21,22)
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n/an/a 3.70E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human GSK3alpha activity using Ser/Thr 11 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50352493
PNG
(CHEMBL1824334)
Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C15H15N7O2/c1-24-12-4-2-10(3-5-12)9-17-15(23)18-13-8-11(6-7-16-13)14-19-21-22-20-14/h2-8H,9H2,1H3,(H2,16,17,18,23)(H,19,20,21,22)
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n/an/a 5.10E+5n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50352491
PNG
(CHEMBL1824539)
Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1
Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)
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n/an/a 1.12E+6n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human GSK3alpha activity using Ser/Thr 11 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50352491
PNG
(CHEMBL1824539)
Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1
Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)
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n/an/a 1.43E+6n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50352492
PNG
(CHEMBL1824540)
Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-2-10(3-6-12)9-17-15(21)19-16-18-13-7-4-11(20(22)23)8-14(13)25-16/h2-8H,9H2,1H3,(H2,17,18,19,21)
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n/an/a 3.64E+6n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50352494
PNG
(CHEMBL1824332)
Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C17H15N7O2S/c1-26-12-5-2-10(3-6-12)9-18-16(25)20-17-19-13-7-4-11(8-14(13)27-17)15-21-23-24-22-15/h2-8H,9H2,1H3,(H2,18,19,20,25)(H,21,22,23,24)
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n/an/a 4.80E+6n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human AURKA activity using Ser/Thr 1 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50352494
PNG
(CHEMBL1824332)
Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C17H15N7O2S/c1-26-12-5-2-10(3-6-12)9-18-16(25)20-17-19-13-7-4-11(8-14(13)27-17)15-21-23-24-22-15/h2-8H,9H2,1H3,(H2,18,19,20,25)(H,21,22,23,24)
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n/an/a 1.53E+7n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human CKI epsilon activity using Ser/Thr 11 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50352494
PNG
(CHEMBL1824332)
Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C17H15N7O2S/c1-26-12-5-2-10(3-6-12)9-18-16(25)20-17-19-13-7-4-11(8-14(13)27-17)15-21-23-24-22-15/h2-8H,9H2,1H3,(H2,18,19,20,25)(H,21,22,23,24)
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n/an/a 2.42E+7n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using Ser/Thr 7 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50352494
PNG
(CHEMBL1824332)
Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C17H15N7O2S/c1-26-12-5-2-10(3-6-12)9-18-16(25)20-17-19-13-7-4-11(8-14(13)27-17)15-21-23-24-22-15/h2-8H,9H2,1H3,(H2,18,19,20,25)(H,21,22,23,24)
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n/an/a 2.64E+7n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human CDK5/p35 activity using Ser/Thr 12 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50352491
PNG
(CHEMBL1824539)
Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1
Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human CKI epsilon activity using Ser/Thr 11 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50352493
PNG
(CHEMBL1824334)
Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C15H15N7O2/c1-24-12-4-2-10(3-5-12)9-17-15(23)18-13-8-11(6-7-16-13)14-19-21-22-20-14/h2-8H,9H2,1H3,(H2,16,17,18,23)(H,19,20,21,22)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human AURKA activity using Ser/Thr 1 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50352493
PNG
(CHEMBL1824334)
Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C15H15N7O2/c1-24-12-4-2-10(3-5-12)9-17-15(23)18-13-8-11(6-7-16-13)14-19-21-22-20-14/h2-8H,9H2,1H3,(H2,16,17,18,23)(H,19,20,21,22)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human CKI epsilon activity using Ser/Thr 11 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50352491
PNG
(CHEMBL1824539)
Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1
Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using Ser/Thr 7 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50352493
PNG
(CHEMBL1824334)
Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C15H15N7O2/c1-24-12-4-2-10(3-5-12)9-17-15(23)18-13-8-11(6-7-16-13)14-19-21-22-20-14/h2-8H,9H2,1H3,(H2,16,17,18,23)(H,19,20,21,22)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using Ser/Thr 7 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using Ser/Thr 7 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50352492
PNG
(CHEMBL1824540)
Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-2-10(3-6-12)9-17-15(21)19-16-18-13-7-4-11(20(22)23)8-14(13)25-16/h2-8H,9H2,1H3,(H2,17,18,19,21)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha activity using Ser/Thr 7 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50352491
PNG
(CHEMBL1824539)
Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1
Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human AURKA activity using Ser/Thr 1 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50352492
PNG
(CHEMBL1824540)
Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-2-10(3-6-12)9-17-15(21)19-16-18-13-7-4-11(20(22)23)8-14(13)25-16/h2-8H,9H2,1H3,(H2,17,18,19,21)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human AURKA activity using Ser/Thr 1 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human AURKA activity using Ser/Thr 1 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50352492
PNG
(CHEMBL1824540)
Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-2-10(3-6-12)9-17-15(21)19-16-18-13-7-4-11(20(22)23)8-14(13)25-16/h2-8H,9H2,1H3,(H2,17,18,19,21)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human CKI epsilon activity using Ser/Thr 11 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50352493
PNG
(CHEMBL1824334)
Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C15H15N7O2/c1-24-12-4-2-10(3-5-12)9-17-15(23)18-13-8-11(6-7-16-13)14-19-21-22-20-14/h2-8H,9H2,1H3,(H2,16,17,18,23)(H,19,20,21,22)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human CDK5/p35 activity using Ser/Thr 12 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human CDK5/p35 activity using Ser/Thr 12 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50352491
PNG
(CHEMBL1824539)
Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1
Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human CDK5/p35 activity using Ser/Thr 12 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50229962
PNG
(1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...)
Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human CKI epsilon activity using Ser/Thr 11 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50352492
PNG
(CHEMBL1824540)
Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-2-10(3-6-12)9-17-15(21)19-16-18-13-7-4-11(20(22)23)8-14(13)25-16/h2-8H,9H2,1H3,(H2,17,18,19,21)
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n/an/a>1.00E+8n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human CDK5/p35 activity using Ser/Thr 12 peptide as substrate by FRET assay


Bioorg Med Chem Lett 21: 5610-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.131
BindingDB Entry DOI: 10.7270/Q2765FP3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%