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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'beattie' and Initial = 'jf'   
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
CDK2/CycE


(Homo sapiens (Human))
BDBM7647
PNG
(4-[(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidi...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C18H16N6O2S/c1-12-17(24-11-3-2-4-16(24)21-12)15-9-10-20-18(23-15)22-13-5-7-14(8-6-13)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,22,23)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7649
PNG
(2,4-bisanilinopyrimidine deriv. 9 | 4-({4-[(2-fluo...)
Show SMILES Cc1ccc(F)c(Nc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c1
Show InChI InChI=1S/C17H16FN5O2S/c1-11-2-7-14(18)15(10-11)22-16-8-9-20-17(23-16)21-12-3-5-13(6-4-12)26(19,24)25/h2-10H,1H3,(H2,19,24,25)(H2,20,21,22,23)
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n/an/a 6n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7646
PNG
(CHEMBL102926 | Imidazo[1,2-a]pyridine deriv. 6 | N...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)cc1
Show InChI InChI=1/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)
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n/an/a 32n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM7645
PNG
(4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyr...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H15N5/c1-13-17(23-12-6-5-9-16(23)20-13)15-10-11-19-18(22-15)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,19,21,22)
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n/an/a 36n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7600
PNG
(2-[(2,5-dichlorophenyl)[6-({4-[3-(dimethylamino)-2...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1/C23H24Cl2N6O2/c1-30(2)13-18(32)14-33-19-6-4-17(5-7-19)29-22-12-23(28-15-27-22)31(10-9-26)21-11-16(24)3-8-20(21)25/h3-8,11-12,15,18,32H,10,13-14H2,1-2H3,(H,27,28,29)
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n/an/a 50n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7604
PNG
(2-[(2-bromo-4-methylphenyl)[6-({4-[3-(dimethylamin...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2ccc(C)cc2Br)cc1
Show InChI InChI=1/C24H27BrN6O2/c1-17-4-9-22(21(25)12-17)31(11-10-26)24-13-23(27-16-28-24)29-18-5-7-20(8-6-18)33-15-19(32)14-30(2)3/h4-9,12-13,16,19,32H,11,14-15H2,1-3H3,(H,27,28,29)
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n/an/a 100n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7646
PNG
(CHEMBL102926 | Imidazo[1,2-a]pyridine deriv. 6 | N...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)cc1
Show InChI InChI=1/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)
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n/an/a 150n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50042876
PNG
(CHEMBL332005 | [2,2']Bipyridinyl-5,5'-dicarboxylic...)
Show SMILES OC(=O)c1ccc(nc1)-c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C12H8N2O4/c15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)
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n/an/a 185n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))
BDBM50042876
PNG
(CHEMBL332005 | [2,2']Bipyridinyl-5,5'-dicarboxylic...)
Show SMILES OC(=O)c1ccc(nc1)-c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C12H8N2O4/c15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)
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n/an/a 190n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50042873
PNG
(5'-(4-Ethoxy-phenylcarbamoyl)-[2,2']bipyridinyl-5-...)
Show SMILES CCOc1ccc(NC(=O)c2ccc(nc2)-c2ccc(cn2)C(O)=O)cc1
Show InChI InChI=1S/C20H17N3O4/c1-2-27-16-7-5-15(6-8-16)23-19(24)13-3-9-17(21-11-13)18-10-4-14(12-22-18)20(25)26/h3-12H,2H2,1H3,(H,23,24)(H,25,26)
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n/an/a 320n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7601
PNG
(3-[(2,5-dichlorophenyl)[6-({4-[3-(dimethylamino)-2...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CCC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1/C24H26Cl2N6O2/c1-31(2)14-19(33)15-34-20-7-5-18(6-8-20)30-23-13-24(29-16-28-23)32(11-3-10-27)22-12-17(25)4-9-21(22)26/h4-9,12-13,16,19,33H,3,11,14-15H2,1-2H3,(H,28,29,30)
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n/an/a 500n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7602
PNG
(4,6-bis anilino pyrimidine deriv. 15 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#C)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1/C24H25Cl2N5O2/c1-4-11-31(22-12-17(25)5-10-21(22)26)24-13-23(27-16-28-24)29-18-6-8-20(9-7-18)33-15-19(32)14-30(2)3/h1,5-10,12-13,16,19,32H,11,14-15H2,2-3H3,(H,27,28,29)
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n/an/a 800n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7597
PNG
(4,6-bis anilino pyrimidine deriv. 10 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(Cl)ccc3Cl)ncn2)cc1
Show InChI InChI=1/C21H23Cl2N5O2/c1-28(2)11-16(29)12-30-17-6-4-15(5-7-17)26-20-10-21(25-13-24-20)27-19-9-14(22)3-8-18(19)23/h3-10,13,16,29H,11-12H2,1-2H3,(H2,24,25,26,27)
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n/an/a 1.00E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7600
PNG
(2-[(2,5-dichlorophenyl)[6-({4-[3-(dimethylamino)-2...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1/C23H24Cl2N6O2/c1-30(2)13-18(32)14-33-19-6-4-17(5-7-19)29-22-12-23(28-15-27-22)31(10-9-26)21-11-16(24)3-8-20(21)25/h3-8,11-12,15,18,32H,10,13-14H2,1-2H3,(H,27,28,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7605
PNG
(2,4-bis anilino pyrimidine deriv. 1 | 2-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3)n2)cc1
Show InChI InChI=1/C21H25N5O2/c1-26(2)14-18(27)15-28-19-10-8-17(9-11-19)24-21-22-13-12-20(25-21)23-16-6-4-3-5-7-16/h3-13,18,27H,14-15H2,1-2H3,(H2,22,23,24,25)
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n/an/a 2.00E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7596
PNG
(4,6-bis anilino pyrimidine deriv. 9 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3N(=O)=O)ncn2)cc1
Show InChI InChI=1/C21H24N6O4/c1-26(2)12-16(28)13-31-17-9-7-15(8-10-17)24-20-11-21(23-14-22-20)25-18-5-3-4-6-19(18)27(29)30/h3-11,14,16,28H,12-13H2,1-2H3,(H2,22,23,24,25)
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n/an/a 2.00E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7647
PNG
(4-[(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidi...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C18H16N6O2S/c1-12-17(24-11-3-2-4-16(24)21-12)15-9-10-20-18(23-15)22-13-5-7-14(8-6-13)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,22,23)
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n/an/a 2.50E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7649
PNG
(2,4-bisanilinopyrimidine deriv. 9 | 4-({4-[(2-fluo...)
Show SMILES Cc1ccc(F)c(Nc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c1
Show InChI InChI=1S/C17H16FN5O2S/c1-11-2-7-14(18)15(10-11)22-16-8-9-20-17(23-16)21-12-3-5-13(6-4-12)26(19,24)25/h2-10H,1H3,(H2,19,24,25)(H2,20,21,22,23)
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n/an/a 2.70E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7642
PNG
(Imidazo[1,2-a]pyridine deriv. 2 | N-(4-{2-methylim...)
Show SMILES CC(=O)Nc1nccc(n1)-c1c(C)nc2ccccn12
Show InChI InChI=1S/C14H13N5O/c1-9-13(19-8-4-3-5-12(19)16-9)11-6-7-15-14(18-11)17-10(2)20/h3-8H,1-2H3,(H,15,17,18,20)
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n/an/a 2.90E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM7604
PNG
(2-[(2-bromo-4-methylphenyl)[6-({4-[3-(dimethylamin...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2ccc(C)cc2Br)cc1
Show InChI InChI=1/C24H27BrN6O2/c1-17-4-9-22(21(25)12-17)31(11-10-26)24-13-23(27-16-28-24)29-18-5-7-20(8-6-18)33-15-19(32)14-30(2)3/h4-9,12-13,16,19,32H,11,14-15H2,1-3H3,(H,27,28,29)
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n/an/a 3.00E+3n/an/an/an/an/an/a



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7645
PNG
(4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyr...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H15N5/c1-13-17(23-12-6-5-9-16(23)20-13)15-10-11-19-18(22-15)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,19,21,22)
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n/an/a 3.60E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7594
PNG
(4,6-bis anilino pyrimidine deriv. 7 | 4-N-(2-bromo...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3Br)ncn2)cc1
Show InChI InChI=1/C21H24BrN5O2/c1-27(2)12-16(28)13-29-17-9-7-15(8-10-17)25-20-11-21(24-14-23-20)26-19-6-4-3-5-18(19)22/h3-11,14,16,28H,12-13H2,1-2H3,(H2,23,24,25,26)
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n/an/a 4.00E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7641
PNG
(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(N)n1
Show InChI InChI=1S/C12H11N5/c1-8-11(9-5-6-14-12(13)16-9)17-7-3-2-4-10(17)15-8/h2-7H,1H3,(H2,13,14,16)
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n/an/a 4.00E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7603
PNG
(4,6-bis anilino pyrimidine deriv. 16 | 4-N-benzyl-...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(Cc2ccccc2)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1/C28H29Cl2N5O2/c1-34(2)17-23(36)18-37-24-11-9-22(10-12-24)33-27-15-28(32-19-31-27)35(16-20-6-4-3-5-7-20)26-14-21(29)8-13-25(26)30/h3-15,19,23,36H,16-18H2,1-2H3,(H,31,32,33)
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n/an/a 5.00E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7601
PNG
(3-[(2,5-dichlorophenyl)[6-({4-[3-(dimethylamino)-2...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CCC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1/C24H26Cl2N6O2/c1-31(2)14-19(33)15-34-20-7-5-18(6-8-20)30-23-13-24(29-16-28-23)32(11-3-10-27)22-12-17(25)4-9-21(22)26/h4-9,12-13,16,19,33H,3,11,14-15H2,1-2H3,(H,28,29,30)
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n/an/a 5.00E+3n/an/an/an/an/an/a



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50042872
PNG
(3-phenylsulfonamidocarbonyl-6-(5-phenylsulfonamido...)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(nc1)-c1ccc(cn1)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H18N4O6S2/c29-23(27-35(31,32)19-7-3-1-4-8-19)17-11-13-21(25-15-17)22-14-12-18(16-26-22)24(30)28-36(33,34)20-9-5-2-6-10-20/h1-16H,(H,27,29)(H,28,30)
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n/an/a 5.04E+3n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM26114
PNG
(CHEMBL88972 | pyridine carboxylate, 6b | pyridine-...)
Show SMILES OC(=O)c1ccc(nc1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)
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n/an/a 5.18E+3n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7599
PNG
(4,6-bis anilino pyrimidine deriv. 12 | 4-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(ccc3F)C(F)(F)F)ncn2)cc1
Show InChI InChI=1/C22H23F4N5O2/c1-31(2)11-16(32)12-33-17-6-4-15(5-7-17)29-20-10-21(28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,32H,11-12H2,1-2H3,(H2,27,28,29,30)
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n/an/a 6.00E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7590
PNG
(4,6-bis anilino pyrimidine deriv. 3 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3C)ncn2)cc1
Show InChI InChI=1/C22H27N5O2/c1-16-6-4-5-7-20(16)26-22-12-21(23-15-24-22)25-17-8-10-19(11-9-17)29-14-18(28)13-27(2)3/h4-12,15,18,28H,13-14H2,1-3H3,(H2,23,24,25,26)
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n/an/a 8.00E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7641
PNG
(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(N)n1
Show InChI InChI=1S/C12H11N5/c1-8-11(9-5-6-14-12(13)16-9)17-7-3-2-4-10(17)15-8/h2-7H,1H3,(H2,13,14,16)
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n/an/a 8.00E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7593
PNG
(4,6-bis anilino pyrimidine deriv. 6 | 4-N-(2-chlor...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3Cl)ncn2)cc1
Show InChI InChI=1/C21H24ClN5O2/c1-27(2)12-16(28)13-29-17-9-7-15(8-10-17)25-20-11-21(24-14-23-20)26-19-6-4-3-5-18(19)22/h3-11,14,16,28H,12-13H2,1-2H3,(H2,23,24,25,26)
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n/an/a 8.00E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7642
PNG
(Imidazo[1,2-a]pyridine deriv. 2 | N-(4-{2-methylim...)
Show SMILES CC(=O)Nc1nccc(n1)-c1c(C)nc2ccccn12
Show InChI InChI=1S/C14H13N5O/c1-9-13(19-8-4-3-5-12(19)16-9)11-6-7-15-14(18-11)17-10(2)20/h3-8H,1-2H3,(H,15,17,18,20)
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n/an/a 8.90E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7598
PNG
(4,6-bis anilino pyrimidine deriv. 11 | 4-N-(2,6-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1
Show InChI InChI=1/C21H23F2N5O2/c1-28(2)11-15(29)12-30-16-8-6-14(7-9-16)26-19-10-20(25-13-24-19)27-21-17(22)4-3-5-18(21)23/h3-10,13,15,29H,11-12H2,1-2H3,(H2,24,25,26,27)
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n/an/a 9.00E+3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7644
PNG
(3-(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(NC(=O)Nc2ccccc2)n1
Show InChI InChI=1S/C19H16N6O/c1-13-17(25-12-6-5-9-16(25)21-13)15-10-11-20-18(23-15)24-19(26)22-14-7-3-2-4-8-14/h2-12H,1H3,(H2,20,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7644
PNG
(3-(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(NC(=O)Nc2ccccc2)n1
Show InChI InChI=1S/C19H16N6O/c1-13-17(25-12-6-5-9-16(25)21-13)15-10-11-20-18(23-15)24-19(26)22-14-7-3-2-4-8-14/h2-12H,1H3,(H2,20,22,23,24,26)
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n/an/a>1.00E+4n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50042875
PNG
(CHEMBL125345 | Potassium; [2,2']bipyridinyl-5-carb...)
Show SMILES [O-]C(=O)c1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C11H8N2O2/c14-11(15)8-4-5-10(13-7-8)9-3-1-2-6-12-9/h1-7H,(H,14,15)/p-1
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n/an/a 1.32E+4n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7588
PNG
(4,6-bis anilino pyrimidine deriv. 1 | 4-N-(2,4-dif...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(F)cc3F)ncn2)cc1
Show InChI InChI=1/C21H23F2N5O2/c1-28(2)11-16(29)12-30-17-6-4-15(5-7-17)26-20-10-21(25-13-24-20)27-19-8-3-14(22)9-18(19)23/h3-10,13,16,29H,11-12H2,1-2H3,(H2,24,25,26,27)
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n/an/a 1.50E+4n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7591
PNG
(4,6-bis anilino pyrimidine deriv. 4 | 4-N-{4-[3-(d...)
Show SMILES CC(C)c1ccccc1Nc1cc(Nc2ccc(OCC(O)CN(C)C)cc2)ncn1
Show InChI InChI=1/C24H31N5O2/c1-17(2)21-7-5-6-8-22(21)28-24-13-23(25-16-26-24)27-18-9-11-20(12-10-18)31-15-19(30)14-29(3)4/h5-13,16-17,19,30H,14-15H2,1-4H3,(H2,25,26,27,28)
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n/an/a 1.80E+4n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7602
PNG
(4,6-bis anilino pyrimidine deriv. 15 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#C)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1/C24H25Cl2N5O2/c1-4-11-31(22-12-17(25)5-10-21(22)26)24-13-23(27-16-28-24)29-18-6-8-20(9-7-18)33-15-19(32)14-30(2)3/h1,5-10,12-13,16,19,32H,11,14-15H2,2-3H3,(H,27,28,29)
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n/an/a 1.90E+4n/an/an/an/an/an/a



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7597
PNG
(4,6-bis anilino pyrimidine deriv. 10 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(Cl)ccc3Cl)ncn2)cc1
Show InChI InChI=1/C21H23Cl2N5O2/c1-28(2)11-16(29)12-30-17-6-4-15(5-7-17)26-20-10-21(25-13-24-20)27-19-9-14(22)3-8-18(19)23/h3-10,13,16,29H,11-12H2,1-2H3,(H2,24,25,26,27)
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n/an/a 2.20E+4n/an/an/an/an/an/a



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7595
PNG
(4,6-bis anilino pyrimidine deriv. 8 | 4-N-{4-[3-(d...)
Show SMILES COc1ccccc1Nc1cc(Nc2ccc(OCC(O)CN(C)C)cc2)ncn1
Show InChI InChI=1/C22H27N5O3/c1-27(2)13-17(28)14-30-18-10-8-16(9-11-18)25-21-12-22(24-15-23-21)26-19-6-4-5-7-20(19)29-3/h4-12,15,17,28H,13-14H2,1-3H3,(H2,23,24,25,26)
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n/an/a 2.30E+4n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7591
PNG
(4,6-bis anilino pyrimidine deriv. 4 | 4-N-{4-[3-(d...)
Show SMILES CC(C)c1ccccc1Nc1cc(Nc2ccc(OCC(O)CN(C)C)cc2)ncn1
Show InChI InChI=1/C24H31N5O2/c1-17(2)21-7-5-6-8-22(21)28-24-13-23(25-16-26-24)27-18-9-11-20(12-10-18)31-15-19(30)14-29(3)4/h5-13,16-17,19,30H,14-15H2,1-4H3,(H2,25,26,27,28)
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n/an/a 2.40E+4n/an/an/an/an/an/a



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7596
PNG
(4,6-bis anilino pyrimidine deriv. 9 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3N(=O)=O)ncn2)cc1
Show InChI InChI=1/C21H24N6O4/c1-26(2)12-16(28)13-31-17-9-7-15(8-10-17)24-20-11-21(23-14-22-20)25-18-5-3-4-6-19(18)27(29)30/h3-11,14,16,28H,12-13H2,1-2H3,(H2,22,23,24,25)
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n/an/a 2.50E+4n/an/an/an/an/an/a



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7592
PNG
(4,6-bis anilino pyrimidine deriv. 5 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3F)ncn2)cc1
Show InChI InChI=1/C21H24FN5O2/c1-27(2)12-16(28)13-29-17-9-7-15(8-10-17)25-20-11-21(24-14-23-20)26-19-6-4-3-5-18(19)22/h3-11,14,16,28H,12-13H2,1-2H3,(H2,23,24,25,26)
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n/an/a 2.70E+4n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7594
PNG
(4,6-bis anilino pyrimidine deriv. 7 | 4-N-(2-bromo...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3Br)ncn2)cc1
Show InChI InChI=1/C21H24BrN5O2/c1-27(2)12-16(28)13-29-17-9-7-15(8-10-17)25-20-11-21(24-14-23-20)26-19-6-4-3-5-18(19)22/h3-11,14,16,28H,12-13H2,1-2H3,(H2,23,24,25,26)
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n/an/a 2.80E+4n/an/an/an/an/an/a



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7605
PNG
(2,4-bis anilino pyrimidine deriv. 1 | 2-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3)n2)cc1
Show InChI InChI=1/C21H25N5O2/c1-26(2)14-18(27)15-28-19-10-8-17(9-11-19)24-21-22-13-12-20(25-21)23-16-6-4-3-5-7-16/h3-13,18,27H,14-15H2,1-2H3,(H2,22,23,24,25)
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n/an/a 3.20E+4n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7589
PNG
(4,6-bis anilino pyrimidine deriv. 2 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1
Show InChI InChI=1/C21H25N5O2/c1-26(2)13-18(27)14-28-19-10-8-17(9-11-19)25-21-12-20(22-15-23-21)24-16-6-4-3-5-7-16/h3-12,15,18,27H,13-14H2,1-2H3,(H2,22,23,24,25)
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n/an/a 3.30E+4n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50042877
PNG
(CHEMBL420149 | N-([2,2']Bipyridinyl-5-carbonyl)-be...)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C17H13N3O3S/c21-17(20-24(22,23)14-6-2-1-3-7-14)13-9-10-16(19-12-13)15-8-4-5-11-18-15/h1-12H,(H,20,21)
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n/an/a 3.38E+4n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50042874
PNG
(2,2'-Bipyridin | 2,2'-bipyridine | 2,2'-bipyridyl ...)
Show SMILES c1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
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n/an/a 3.42E+4n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7599
PNG
(4,6-bis anilino pyrimidine deriv. 12 | 4-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(ccc3F)C(F)(F)F)ncn2)cc1
Show InChI InChI=1/C22H23F4N5O2/c1-31(2)11-16(32)12-33-17-6-4-15(5-7-17)29-20-10-21(28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,32H,11-12H2,1-2H3,(H2,27,28,29,30)
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n/an/a 3.50E+4n/an/an/an/an/an/a



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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