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PubMed code 24798019

Compile data set for download or QSAR
Found 30 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
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 75n/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
Cyclin-dependent kinase 5


(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 specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 90n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of rat DYRK1A assessed as inhibition of phosphate incorporation using GRSRSRSRSRSR and [gamma-33P]ATP as substrate after 30 mins by scinti...


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 protein kinase CLK1


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 170n/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 protein kinase CLK1


(Mus musculus)
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 210n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-fused CLK1 expressed in Escherichia coli cells assessed as inhibition of phosphate incorporation using GRSRSRSRSR...


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 protein kinase CLK4


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 220n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of CLK4 (unknown origin)


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 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
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 350n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of DYRK1B (unknown origin)


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 protein kinase CLK2


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 680n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of CLK2 (unknown origin)


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-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 820n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T (unknown origin)


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 3


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of DYRK3 (unknown origin)


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 2


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of DYRK2 (unknown origin)


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 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))
BDBM50021613
PNG
(Atolaphyllidine)
Show SMILES CC1(C)Oc2cc(O)c3c([nH]c4c(O)cccc4c3=O)c2C=C1 |c:24|
Show InChI InChI=1S/C18H15NO4/c1-18(2)7-6-9-13(23-18)8-12(21)14-16(9)19-15-10(17(14)22)4-3-5-11(15)20/h3-8,20-21H,1-2H3,(H,19,22)
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n/an/a 2.20E+3n/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
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of CLK3 (unknown origin)


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 1


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 5.30E+3n/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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50021614
PNG
(CHEMBL3297831)
Show SMILES Cn1c2c(O)cccc2c(=O)c2c3occc3c3OC(C)(C)C=Cc3c12 |c:24|
Show InChI InChI=1S/C21H17NO4/c1-21(2)9-7-12-17-15(20-13(8-10-25-20)19(12)26-21)18(24)11-5-4-6-14(23)16(11)22(17)3/h4-10,23H,1-3H3
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n/an/a 5.70E+3n/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
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50021614
PNG
(CHEMBL3297831)
Show SMILES Cn1c2c(O)cccc2c(=O)c2c3occc3c3OC(C)(C)C=Cc3c12 |c:24|
Show InChI InChI=1S/C21H17NO4/c1-21(2)9-7-12-17-15(20-13(8-10-25-20)19(12)26-21)18(24)11-5-4-6-14(23)16(11)22(17)3/h4-10,23H,1-3H3
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n/an/a 7.00E+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
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A (unknown origin)


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


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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PubMed
n/an/a 9.00E+3n/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 specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50021615
PNG
(CHEMBL3297830)
Show SMILES Cn1c2c(O)cccc2c(=O)c2c3OC(C)(C)C(O)=Cc3c3OC(C)(C)C=Cc3c12 |c:19,28|
Show InChI InChI=1S/C24H23NO5/c1-23(2)10-9-13-19-17(20(28)12-7-6-8-15(26)18(12)25(19)5)22-14(21(13)29-23)11-16(27)24(3,4)30-22/h6-11,26-27H,1-5H3
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PubMed
n/an/a>1.00E+4n/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))
BDBM50021615
PNG
(CHEMBL3297830)
Show SMILES Cn1c2c(O)cccc2c(=O)c2c3OC(C)(C)C(O)=Cc3c3OC(C)(C)C=Cc3c12 |c:19,28|
Show InChI InChI=1S/C24H23NO5/c1-23(2)10-9-13-19-17(20(28)12-7-6-8-15(26)18(12)25(19)5)22-14(21(13)29-23)11-16(27)24(3,4)30-22/h6-11,26-27H,1-5H3
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n/an/a>1.00E+4n/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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50021615
PNG
(CHEMBL3297830)
Show SMILES Cn1c2c(O)cccc2c(=O)c2c3OC(C)(C)C(O)=Cc3c3OC(C)(C)C=Cc3c12 |c:19,28|
Show InChI InChI=1S/C24H23NO5/c1-23(2)10-9-13-19-17(20(28)12-7-6-8-15(26)18(12)25(19)5)22-14(21(13)29-23)11-16(27)24(3,4)30-22/h6-11,26-27H,1-5H3
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n/an/a>1.00E+4n/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


(Homo sapiens (Human))
BDBM50021614
PNG
(CHEMBL3297831)
Show SMILES Cn1c2c(O)cccc2c(=O)c2c3occc3c3OC(C)(C)C=Cc3c12 |c:24|
Show InChI InChI=1S/C21H17NO4/c1-21(2)9-7-12-17-15(20-13(8-10-25-20)19(12)26-21)18(24)11-5-4-6-14(23)16(11)22(17)3/h4-10,23H,1-3H3
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n/an/a>1.00E+4n/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
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50021615
PNG
(CHEMBL3297830)
Show SMILES Cn1c2c(O)cccc2c(=O)c2c3OC(C)(C)C(O)=Cc3c3OC(C)(C)C=Cc3c12 |c:19,28|
Show InChI InChI=1S/C24H23NO5/c1-23(2)10-9-13-19-17(20(28)12-7-6-8-15(26)18(12)25(19)5)22-14(21(13)29-23)11-16(27)24(3,4)30-22/h6-11,26-27H,1-5H3
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PubMed
n/an/a>1.00E+4n/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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50021614
PNG
(CHEMBL3297831)
Show SMILES Cn1c2c(O)cccc2c(=O)c2c3occc3c3OC(C)(C)C=Cc3c12 |c:24|
Show InChI InChI=1S/C21H17NO4/c1-21(2)9-7-12-17-15(20-13(8-10-25-20)19(12)26-21)18(24)11-5-4-6-14(23)16(11)22(17)3/h4-10,23H,1-3H3
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PubMed
n/an/a>1.00E+4n/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 1


(Homo sapiens (Human))
BDBM50021613
PNG
(Atolaphyllidine)
Show SMILES CC1(C)Oc2cc(O)c3c([nH]c4c(O)cccc4c3=O)c2C=C1 |c:24|
Show InChI InChI=1S/C18H15NO4/c1-18(2)7-6-9-13(23-18)8-12(21)14-16(9)19-15-10(17(14)22)4-3-5-11(15)20/h3-8,20-21H,1-2H3,(H,19,22)
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n/an/a>1.00E+4n/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 activator 1


(Homo sapiens (Human))
BDBM50021616
PNG
(CHEMBL3297832)
Show SMILES COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
Show InChI InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 (unknown origin) assessed as inhibition of phosphate incorporation using histone 1 and [gamma-33P]ATP as substrate after 30 mi...


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


(Homo sapiens (Human))
BDBM50021613
PNG
(Atolaphyllidine)
Show SMILES CC1(C)Oc2cc(O)c3c([nH]c4c(O)cccc4c3=O)c2C=C1 |c:24|
Show InChI InChI=1S/C18H15NO4/c1-18(2)7-6-9-13(23-18)8-12(21)14-16(9)19-15-10(17(14)22)4-3-5-11(15)20/h3-8,20-21H,1-2H3,(H,19,22)
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n/an/a>1.00E+4n/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
* indicates data uncertainty>20%