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Compile Data Set for Download or QSAR

Found 12880 hits with Last Name = 'lockhart' and Initial = 'dj'   
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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p35


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin A


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cdc2


(Asterina pectinifera)
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 150 M [gamma32P]ATP


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cdc2


(Asterina pectinifera)
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 150 M [gamma32P]ATP


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin A


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human cdk5/p35


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cell division control protein 28


(Saccharomyces cerevisiae)
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cdc28


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cdc2


(Asterina pectinifera)
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 1.5 mM [gamma32P]ATP


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50113707
PNG
(2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
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n/an/a 340n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cdc2


(Asterina pectinifera)
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 1.5 mM [gamma32P]ATP


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 850n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human cdk4/cyclin D1


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cell division control protein 28


(Saccharomyces cerevisiae)
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cdc28


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Pho80/Pho85


(Saccharomyces cerevisiae)
BDBM50113707
PNG
(2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 Pho85 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human insulin receptor


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a 3.33E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Erk1


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human insulin receptor


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cell division control protein 28


(Saccharomyces cerevisiae)
BDBM50113707
PNG
(2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 cdc28 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Erk1


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human cdk4/cyclin D1


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCgamma


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCbeta1


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCbeta2


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCbeta2


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCepsilon


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCdelta


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCgamma


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCbeta1


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCeta


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCdelta


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCepsilon


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCzeta


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCeta


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Pho80/Pho85


(Saccharomyces cerevisiae)
BDBM50267719
PNG
(2-(6-((3-chlorophenyl)(methyl)amino)-9-isopropyl-9...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-17(19-7-8-25)22-16(14)24)23(3)13-6-4-5-12(18)9-13/h4-6,9-11,25H,7-8H2,1-3H3,(H,19,21,22)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 Pho85 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Meiotic mRNA stability protein kinase SSN3


(Saccharomyces cerevisiae)
BDBM50113707
PNG
(2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 Srb10 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase KIN28


(Saccharomyces cerevisiae)
BDBM50267719
PNG
(2-(6-((3-chlorophenyl)(methyl)amino)-9-isopropyl-9...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-17(19-7-8-25)22-16(14)24)23(3)13-6-4-5-12(18)9-13/h4-6,9-11,25H,7-8H2,1-3H3,(H,19,21,22)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 Kin28 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CAK1


(Saccharomyces cerevisiae)
BDBM50113707
PNG
(2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 Cak1 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Meiotic mRNA stability protein kinase SSN3


(Saccharomyces cerevisiae)
BDBM50267719
PNG
(2-(6-((3-chlorophenyl)(methyl)amino)-9-isopropyl-9...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-17(19-7-8-25)22-16(14)24)23(3)13-6-4-5-12(18)9-13/h4-6,9-11,25H,7-8H2,1-3H3,(H,19,21,22)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 Srb10 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cell division control protein 28


(Saccharomyces cerevisiae)
BDBM50267719
PNG
(2-(6-((3-chlorophenyl)(methyl)amino)-9-isopropyl-9...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-17(19-7-8-25)22-16(14)24)23(3)13-6-4-5-12(18)9-13/h4-6,9-11,25H,7-8H2,1-3H3,(H,19,21,22)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 cdc28 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CAK1


(Saccharomyces cerevisiae)
BDBM50267719
PNG
(2-(6-((3-chlorophenyl)(methyl)amino)-9-isopropyl-9...)
Show SMILES CC(C)n1cnc2c(nc(NCCO)nc12)N(C)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-17(19-7-8-25)22-16(14)24)23(3)13-6-4-5-12(18)9-13/h4-6,9-11,25H,7-8H2,1-3H3,(H,19,21,22)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 Cak1 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase KIN28


(Saccharomyces cerevisiae)
BDBM50113707
PNG
(2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of yeast W303 Kin28 phosphorylation assessed as [32P] incorporation in histone H1 from [gamma32P]ATP by scintillation counting


Science 281: 533-538 (1998)


BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
ABL


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/an/a 2n/an/an/a7.425



Ambit, Inc.



Assay Description
Competition binding assay was used to measure the interaction between the phage-tagged kinase, immobilized competitive ligand, and unlinked test comp...


Proc Natl Acad Sci U S A 102: 11011-6 (2005)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q29C6VNB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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