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Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'pannifer' and Initial = 'a'   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))		BDBM50387593
PNG
(CHEMBL2057726)
Show SMILES Cc1nc(N)nc2n(C3CCCC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21)
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 0.436n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))		BDBM50387590
PNG
(CHEMBL2057725 | US8633204, 111)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C19H21N5O2/c1-11-14-9-15(12-7-8-16(26-2)21-10-12)18(25)24(13-5-3-4-6-13)17(14)23-19(20)22-11/h7-10,13H,3-6H2,1-2H3,(H2,20,22,23)
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 1.56n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))		BDBM50387582
PNG
(CHEMBL2057736 | US8633204, 196)
Show SMILES COc1ncc(cc1F)-c1cc2c(C)nc(N)nc2n(N2CCCC2)c1=O
Show InChI InChI=1S/C18H19FN6O2/c1-10-12-8-13(11-7-14(19)16(27-2)21-9-11)17(26)25(24-5-3-4-6-24)15(12)23-18(20)22-10/h7-9H,3-6H2,1-2H3,(H2,20,22,23)
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 2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))		BDBM50387589
PNG
(CHEMBL2057727 | US8633204, 206)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C2CCC2)c1=O
Show InChI InChI=1S/C18H19N5O2/c1-10-13-8-14(11-6-7-15(25-2)20-9-11)17(24)23(12-4-3-5-12)16(13)22-18(19)21-10/h6-9,12H,3-5H2,1-2H3,(H2,19,21,22)
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 3.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))		BDBM50387588
PNG
(CHEMBL2057728 | US8633204, 205)
Show SMILES Cc1nc(N)nc2n(C3CCC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C15H16N6O/c1-8-11-5-12(9-6-17-18-7-9)14(22)21(10-3-2-4-10)13(11)20-15(16)19-8/h5-7,10H,2-4H2,1H3,(H,17,18)(H2,16,19,20)
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 7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))		BDBM50387591
PNG
(CHEMBL2057735 | US8633204, 195)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(N2CCCC2)c1=O
Show InChI InChI=1S/C18H20N6O2/c1-11-13-9-14(12-5-6-15(26-2)20-10-12)17(25)24(23-7-3-4-8-23)16(13)22-18(19)21-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,19,21,22)
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 10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50387583
PNG
(CHEMBL2057734)
Show SMILES Cc1nc(N)nc2n(N3CCCC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C15H17N7O/c1-9-11-6-12(10-7-17-18-8-10)14(23)22(21-4-2-3-5-21)13(11)20-15(16)19-9/h6-8H,2-5H2,1H3,(H,17,18)(H2,16,19,20)
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 10.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))		BDBM50387583
PNG
(CHEMBL2057734)
Show SMILES Cc1nc(N)nc2n(N3CCCC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C15H17N7O/c1-9-11-6-12(10-7-17-18-8-10)14(23)22(21-4-2-3-5-21)13(11)20-15(16)19-9/h6-8H,2-5H2,1H3,(H,17,18)(H2,16,19,20)
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 12.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))		BDBM50387586
PNG
(CHEMBL2057731 | US8633204, 208)
Show SMILES CC(C)n1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-12-10(8(3)18-14(15)19-12)4-11(13(20)21)9-5-16-17-6-9/h4-7H,1-3H3,(H,16,17)(H2,15,18,19)
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 13.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50387593
PNG
(CHEMBL2057726)
Show SMILES Cc1nc(N)nc2n(C3CCCC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21)
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 18.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50387586
PNG
(CHEMBL2057731 | US8633204, 208)
Show SMILES CC(C)n1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-12-10(8(3)18-14(15)19-12)4-11(13(20)21)9-5-16-17-6-9/h4-7H,1-3H3,(H,16,17)(H2,15,18,19)
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 23.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))		BDBM50387592
PNG
(CHEMBL2057729 | US8633204, 212)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C2CC2)c1=O
Show InChI InChI=1S/C17H17N5O2/c1-9-12-7-13(10-3-6-14(24-2)19-8-10)16(23)22(11-4-5-11)15(12)21-17(18)20-9/h3,6-8,11H,4-5H2,1-2H3,(H2,18,20,21)
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 26n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))		BDBM50387587
PNG
(CHEMBL2057730 | US8633204, 211)
Show SMILES Cc1nc(N)nc2n(C3CC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C14H14N6O/c1-7-10-4-11(8-5-16-17-6-8)13(21)20(9-2-3-9)12(10)19-14(15)18-7/h4-6,9H,2-3H2,1H3,(H,16,17)(H2,15,18,19)
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 36n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50387588
PNG
(CHEMBL2057728 | US8633204, 205)
Show SMILES Cc1nc(N)nc2n(C3CCC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C15H16N6O/c1-8-11-5-12(9-6-17-18-7-9)14(22)21(10-3-2-4-10)13(11)20-15(16)19-8/h5-7,10H,2-4H2,1H3,(H,17,18)(H2,16,19,20)
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 51.2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50387589
PNG
(CHEMBL2057727 | US8633204, 206)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C2CCC2)c1=O
Show InChI InChI=1S/C18H19N5O2/c1-10-13-8-14(11-6-7-15(25-2)20-9-11)17(24)23(12-4-3-5-12)16(13)22-18(19)21-10/h6-9,12H,3-5H2,1-2H3,(H2,19,21,22)
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 76.4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50387584
PNG
(CHEMBL2057733)
Show SMILES CC(C)CNn1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O
Show InChI InChI=1S/C15H19N7O/c1-8(2)5-19-22-13-11(9(3)20-15(16)21-13)4-12(14(22)23)10-6-17-18-7-10/h4,6-8,19H,5H2,1-3H3,(H,17,18)(H2,16,20,21)
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 123n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))		BDBM50387585
PNG
(CHEMBL2057732)
Show SMILES CCN(CC)n1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O
Show InChI InChI=1S/C15H19N7O/c1-4-21(5-2)22-13-11(9(3)19-15(16)20-13)6-12(14(22)23)10-7-17-18-8-10/h6-8H,4-5H2,1-3H3,(H,17,18)(H2,16,19,20)
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 138n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50387590
PNG
(CHEMBL2057725 | US8633204, 111)
Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C19H21N5O2/c1-11-14-9-15(12-7-8-16(26-2)21-10-12)18(25)24(13-5-3-4-6-13)17(14)23-19(20)22-11/h7-10,13H,3-6H2,1-2H3,(H2,20,22,23)
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 142n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50387587
PNG
(CHEMBL2057730 | US8633204, 211)
Show SMILES Cc1nc(N)nc2n(C3CC3)c(=O)c(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C14H14N6O/c1-7-10-4-11(8-5-16-17-6-8)13(21)20(9-2-3-9)12(10)19-14(15)18-7/h4-6,9H,2-3H2,1H3,(H,16,17)(H2,15,18,19)
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 190n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50387582
PNG
(CHEMBL2057736 | US8633204, 196)
Show SMILES COc1ncc(cc1F)-c1cc2c(C)nc(N)nc2n(N2CCCC2)c1=O
Show InChI InChI=1S/C18H19FN6O2/c1-10-12-8-13(11-7-14(19)16(27-2)21-9-11)17(26)25(24-5-3-4-6-24)15(12)23-18(20)22-10/h7-9H,3-6H2,1-2H3,(H2,20,22,23)
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 272n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50387585
PNG
(CHEMBL2057732)
Show SMILES CCN(CC)n1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O
Show InChI InChI=1S/C15H19N7O/c1-4-21(5-2)22-13-11(9(3)19-15(16)20-13)6-12(14(22)23)10-7-17-18-8-10/h6-8H,4-5H2,1-3H3,(H,17,18)(H2,16,19,20)
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 663n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human mTOR

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Mus musculus (Mouse))		BDBM50387584
PNG
(CHEMBL2057733)
Show SMILES CC(C)CNn1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O
Show InChI InChI=1S/C15H19N7O/c1-8(2)5-19-22-13-11(9(3)20-15(16)21-13)4-12(14(22)23)10-6-17-18-7-10/h4,6-8,19H,5H2,1-3H3,(H,17,18)(H2,16,20,21)
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 827n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse PI3Kalpha

Bioorg Med Chem Lett 22: 5098-103 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.100
BindingDB Entry DOI: 10.7270/Q2CF9R58
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM12407
PNG
(3-chloro-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)pro...)
Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H28ClN7O4/c1-37-23-13-21-22(14-24(23)39-9-3-6-35-7-10-38-11-8-35)31-17-32-25(21)33-20-15-29-27(30-16-20)34-26(36)18-4-2-5-19(28)12-18/h2,4-5,12-17H,3,6-11H2,1H3,(H,31,32,33)(H,29,30,34,36)
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n/an/a<0.100n/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the...

Bioorg Med Chem Lett 16: 1320-23 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM12408
PNG
(3-chloro-4-fluoro-N-[5-({6-methoxy-7-[3-(morpholin...)
Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccc(F)c(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H27ClFN7O4/c1-38-23-12-19-22(13-24(23)40-8-2-5-36-6-9-39-10-7-36)32-16-33-25(19)34-18-14-30-27(31-15-18)35-26(37)17-3-4-21(29)20(28)11-17/h3-4,11-16H,2,5-10H2,1H3,(H,32,33,34)(H,30,31,35,37)
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n/an/a 0.150n/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the...

Bioorg Med Chem Lett 16: 1320-23 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM7671
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C16H13N7O2S/c17-26(24,25)12-5-3-11(4-6-12)21-16-18-9-7-13(22-16)14-10-19-15-2-1-8-20-23(14)15/h1-10H,(H2,17,24,25)(H,18,21,22)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM7672
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C17H15N7O2S/c1-18-27(25,26)13-6-4-12(5-7-13)22-17-19-10-8-14(23-17)15-11-20-16-3-2-9-21-24(15)16/h2-11,18H,1H3,(H,19,22,23)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM7673
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C19H19N7O3S/c1-29-12-11-23-30(27,28)15-6-4-14(5-7-15)24-19-20-10-8-16(25-19)17-13-21-18-3-2-9-22-26(17)18/h2-10,13,23H,11-12H2,1H3,(H,20,24,25)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM7669
PNG
(4-({4-[6-(ethylsulfanyl)imidazo[1,2-a]pyridin-3-yl...)
Show SMILES CCSc1ccc2ncc(-c3ccnc(Nc4ccc(cc4)S(=O)(=O)NCCOC)n3)n2c1
Show InChI InChI=1S/C22H24N6O3S2/c1-3-32-17-6-9-21-24-14-20(28(21)15-17)19-10-11-23-22(27-19)26-16-4-7-18(8-5-16)33(29,30)25-12-13-31-2/h4-11,14-15,25H,3,12-13H2,1-2H3,(H,23,26,27)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM7667
PNG
(4-[(4-{6-bromoimidazo[1,2-a]pyridin-3-yl}pyrimidin...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(Br)cn23)cc1
Show InChI InChI=1S/C20H19BrN6O3S/c1-30-11-10-24-31(28,29)16-5-3-15(4-6-16)25-20-22-9-8-17(26-20)18-12-23-19-7-2-14(21)13-27(18)19/h2-9,12-13,24H,10-11H2,1H3,(H,22,25,26)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM7668
PNG
(4-[(4-{6-cyanoimidazo[1,2-a]pyridin-3-yl}pyrimidin...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(cn23)C#N)cc1
Show InChI InChI=1S/C21H19N7O3S/c1-31-11-10-25-32(29,30)17-5-3-16(4-6-17)26-21-23-9-8-18(27-21)19-13-24-20-7-2-15(12-22)14-28(19)20/h2-9,13-14,25H,10-11H2,1H3,(H,23,26,27)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM12405
PNG
(CHEMBL381724 | N-[5-({6-methoxy-7-[3-(morpholin-4-...)
Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C27H29N7O4/c1-36-23-14-21-22(15-24(23)38-11-5-8-34-9-12-37-13-10-34)30-18-31-25(21)32-20-16-28-27(29-17-20)33-26(35)19-6-3-2-4-7-19/h2-4,6-7,14-18H,5,8-13H2,1H3,(H,30,31,32)(H,28,29,33,35)
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n/an/a 3n/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the...

Bioorg Med Chem Lett 16: 1320-23 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM7679
PNG
(Imidazo[1,2-b]pyridazine deriv. 4b | N-(2-methoxye...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2c(C)nc3cccnn23)cc1
Show InChI InChI=1S/C20H21N7O3S/c1-14-19(27-18(24-14)4-3-10-22-27)17-9-11-21-20(26-17)25-15-5-7-16(8-6-15)31(28,29)23-12-13-30-2/h3-11,23H,12-13H2,1-2H3,(H,21,25,26)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM7675
PNG
(Imidazo[1,2-b]pyridazine deriv. 2e | N-[3-(dimethy...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50194411
PNG
((S)-2,3-dichloro-N-(1-(dimethylamino)-1-oxo-3-phen...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
Show InChI InChI=1S/C18H17Cl2N3O2S/c1-23(2)18(25)12(8-10-6-4-3-5-7-10)22-17(24)11-9-13-15(21-11)14(19)16(20)26-13/h3-7,9,12,21H,8H2,1-2H3,(H,22,24)/t12-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay

Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM7674
PNG
(CHEMBL484571 | Imidazo[1,2-b]pyridazine deriv. 2d ...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C20H22N8O2S/c1-27(2)13-12-24-31(29,30)16-7-5-15(6-8-16)25-20-21-11-9-17(26-20)18-14-22-19-4-3-10-23-28(18)19/h3-11,14,24H,12-13H2,1-2H3,(H,21,25,26)
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n/an/a 8n/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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50194415
PNG
(2,3-dichloro-N-((1R,2R)-1-hydroxy-2,3-dihydro-1H-i...)
Show SMILES O[C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
Show InChI InChI=1S/C16H12Cl2N2O2S/c17-12-13-11(23-15(12)18)6-10(19-13)16(22)20-9-5-7-3-1-2-4-8(7)14(9)21/h1-4,6,9,14,19,21H,5H2,(H,20,22)/t9-,14-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay

Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM7670
PNG
(Imidazo[1,2-a]pyridine deriv. 4g | N-(2-methoxyeth...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(Sc4ccccc4)cn23)cc1
Show InChI InChI=1S/C26H24N6O3S2/c1-35-16-15-29-37(33,34)22-10-7-19(8-11-22)30-26-27-14-13-23(31-26)24-17-28-25-12-9-21(18-32(24)25)36-20-5-3-2-4-6-20/h2-14,17-18,29H,15-16H2,1H3,(H,27,30,31)
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n/an/a 16n/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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM12413
PNG
(CHEMBL204318 | N-[5-({6-methoxy-7-[3-(morpholin-4-...)
Show SMILES CCCCC(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
Show InChI InChI=1S/C25H33N7O4/c1-3-4-6-23(33)31-25-26-15-18(16-27-25)30-24-19-13-21(34-2)22(14-20(19)28-17-29-24)36-10-5-7-32-8-11-35-12-9-32/h13-17H,3-12H2,1-2H3,(H,28,29,30)(H,26,27,31,33)
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n/an/a 17n/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the...

Bioorg Med Chem Lett 16: 1320-23 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50194414
PNG
((S)-2-chloro-N-(1-(dimethylamino)-1-oxo-3-phenylpr...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)sc2[nH]1
Show InChI InChI=1S/C18H18ClN3O2S/c1-22(2)18(24)14(8-11-6-4-3-5-7-11)20-16(23)13-9-12-10-15(19)25-17(12)21-13/h3-7,9-10,14,21H,8H2,1-2H3,(H,20,23)/t14-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay

Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50194420
PNG
((S)-2,3-dibromo-N-(1-(dimethylamino)-1-oxo-3-pheny...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Br)c(Br)c2[nH]1
Show InChI InChI=1S/C18H17Br2N3O2S/c1-23(2)18(25)12(8-10-6-4-3-5-7-10)22-17(24)11-9-13-15(21-11)14(19)16(20)26-13/h3-7,9,12,21H,8H2,1-2H3,(H,22,24)/t12-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay

Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50356930
PNG
(CHEMBL1914475)
Show SMILES CC(=O)Nc1cn2cc(C=C3SC(O)=NC3=O)ccc2n1 |w:9.8,c:13|
Show InChI InChI=1S/C13H10N4O3S/c1-7(18)14-10-6-17-5-8(2-3-11(17)15-10)4-9-12(19)16-13(20)21-9/h2-6H,1H3,(H,14,18)(H,16,19,20)
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by HTRF assay

Bioorg Med Chem Lett 21: 6586-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.117
BindingDB Entry DOI: 10.7270/Q2GF0TW1
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50189744
PNG
((Z)-5-((5-(4-fluoro-2-hydroxyphenyl)furan-2-yl)met...)
Show SMILES Oc1cc(F)ccc1-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C14H8FNO4S/c15-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PI3Kgamma by HTRF assay

Bioorg Med Chem Lett 21: 6586-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.117
BindingDB Entry DOI: 10.7270/Q2GF0TW1
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50194417
PNG
((S)-2-bromo-N-(1-(dimethylamino)-1-oxo-3-phenylpro...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Br)sc2[nH]1
Show InChI InChI=1S/C18H18BrN3O2S/c1-22(2)18(24)14(8-11-6-4-3-5-7-11)20-16(23)13-9-12-10-15(19)25-17(12)21-13/h3-7,9-10,14,21H,8H2,1-2H3,(H,20,23)/t14-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay

Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))		BDBM50356930
PNG
(CHEMBL1914475)
Show SMILES CC(=O)Nc1cn2cc(C=C3SC(O)=NC3=O)ccc2n1 |w:9.8,c:13|
Show InChI InChI=1S/C13H10N4O3S/c1-7(18)14-10-6-17-5-8(2-3-11(17)15-10)4-9-12(19)16-13(20)21-9/h2-6H,1H3,(H,14,18)(H,16,19,20)
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n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PI3Kgamma by HTRF assay

Bioorg Med Chem Lett 21: 6586-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.117
BindingDB Entry DOI: 10.7270/Q2GF0TW1
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM24363
PNG
(2-chloro-N-(2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)...)
Show SMILES Clc1cc2cc([nH]c2s1)C(=O)NC1Cc2ccccc2NC1=O
Show InChI InChI=1S/C16H12ClN3O2S/c17-13-7-9-6-12(20-16(9)23-13)15(22)19-11-5-8-3-1-2-4-10(8)18-14(11)21/h1-4,6-7,11,20H,5H2,(H,18,21)(H,19,22)
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n/an/a 41n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay

Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50194410
PNG
(2,3-dichloro-N-((1R,2R)-6-fluoro-1-hydroxy-2,3-dih...)
Show SMILES O[C@H]1[C@@H](Cc2ccc(F)cc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
Show InChI InChI=1S/C16H11Cl2FN2O2S/c17-12-13-11(24-15(12)18)5-10(20-13)16(23)21-9-3-6-1-2-7(19)4-8(6)14(9)22/h1-2,4-5,9,14,20,22H,3H2,(H,21,23)/t9-,14-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay

Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065954
PNG
((S)-5-chloro-N-(1-(dimethylamino)-1-oxo-3-phenylpr...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C20H20ClN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay

Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM12409
PNG
(3-bromo-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)prop...)
Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccc(C)c(Br)c4)nc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C28H30BrN7O4/c1-18-4-5-19(12-22(18)29)27(37)35-28-30-15-20(16-31-28)34-26-21-13-24(38-2)25(14-23(21)32-17-33-26)40-9-3-6-36-7-10-39-11-8-36/h4-5,12-17H,3,6-11H2,1-2H3,(H,32,33,34)(H,30,31,35,37)
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n/an/a 70n/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the...

Bioorg Med Chem Lett 16: 1320-23 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM12410
PNG
(4-ethyl-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)prop...)
Show SMILES CCc1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
Show InChI InChI=1S/C29H33N7O4/c1-3-20-5-7-21(8-6-20)28(37)35-29-30-17-22(18-31-29)34-27-23-15-25(38-2)26(16-24(23)32-19-33-27)40-12-4-9-36-10-13-39-14-11-36/h5-8,15-19H,3-4,9-14H2,1-2H3,(H,32,33,34)(H,30,31,35,37)
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n/an/a 85n/an/an/an/a7.522



AstraZeneca



Assay Description
In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the...

Bioorg Med Chem Lett 16: 1320-23 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.053
BindingDB Entry DOI: 10.7270/Q2WH2N7M
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50136437
PNG
(5-Chloro-1H-indole-2-carboxylic acid (2-oxo-1,2,3,...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)NC1Cc2ccccc2NC1=O
Show InChI InChI=1S/C18H14ClN3O2/c19-12-5-6-14-11(7-12)9-15(20-14)17(23)22-16-8-10-3-1-2-4-13(10)21-18(16)24/h1-7,9,16,20H,8H2,(H,21,24)(H,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human liver GPa by multienzyme coupled assay

Bioorg Med Chem Lett 16: 5567-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.047
BindingDB Entry DOI: 10.7270/Q2KW5FP3
More data for this
Ligand-Target Pair
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