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Compile Data Set for Download or QSAR

Found 555 hits with Last Name = 'bush' and Initial = 't'   
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
Androgen receptor


(Homo sapiens (Human))
BDBM50570254
PNG
(CHEMBL4865865)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
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8.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type androgen receptor in human LNCaP cells assessed as inhibition constant incubated for 24 hrs by Cheng-Prusoff equation a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type androgen receptor in human LNCaP cells assessed as inhibition constant incubated for 24 hrs by Cheng-Prusoff equation a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50570254
PNG
(CHEMBL4865865)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
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9.90E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to glucocorticoid receptor in human IM-9 cells assessed as inhibition constant incubated for 6 hrs by Cheng-Prusoff equation analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50425732
PNG
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)
Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
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1.40E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to glucocorticoid receptor in human IM-9 cells assessed as inhibition constant incubated for 6 hrs by Cheng-Prusoff equation analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01563
BindingDB Entry DOI: 10.7270/Q29027KP
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50341056
PNG
(5-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cc(O)cc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O2/c1-9-19-15(18)23-16(20-9)24-14-5-3-2-4-13(14)22-17(24)21-10-6-11(25)8-12(26)7-10/h2-8,25-26H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 0.200n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mTOR assessed as inhibition of phosphorylation of 4EBP1 by Lantha-Screen enzyme assay


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50341056
PNG
(5-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cc(O)cc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O2/c1-9-19-15(18)23-16(20-9)24-14-5-3-2-4-13(14)22-17(24)21-10-6-11(25)8-12(26)7-10/h2-8,25-26H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 0.200n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50341056
PNG
(5-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cc(O)cc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O2/c1-9-19-15(18)23-16(20-9)24-14-5-3-2-4-13(14)22-17(24)21-10-6-11(25)8-12(26)7-10/h2-8,25-26H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341056
PNG
(5-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cc(O)cc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O2/c1-9-19-15(18)23-16(20-9)24-14-5-3-2-4-13(14)22-17(24)21-10-6-11(25)8-12(26)7-10/h2-8,25-26H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 0.600n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443648
PNG
(CHEMBL3093076)
Show SMILES Fc1ncccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Show InChI InChI=1S/C18H15FN6O/c19-15-12(4-2-7-20-15)14(10-5-6-10)23-18-25-24-17(26-18)13-9-22-16-11(13)3-1-8-21-16/h1-4,7-10,14H,5-6H2,(H,21,22)(H,23,25)/t14-/m1/s1
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n/an/a 0.690n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443649
PNG
(CHEMBL3093075)
Show SMILES Fc1ccccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Show InChI InChI=1S/C19H16FN5O/c20-15-6-2-1-4-13(15)16(11-7-8-11)23-19-25-24-18(26-19)14-10-22-17-12(14)5-3-9-21-17/h1-6,9-11,16H,7-8H2,(H,21,22)(H,23,25)/t16-/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443650
PNG
(CHEMBL3093074)
Show SMILES C1CC1[C@@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1 |r|
Show InChI InChI=1S/C19H17N5O/c1-2-5-12(6-3-1)16(13-8-9-13)22-19-24-23-18(25-19)15-11-21-17-14(15)7-4-10-20-17/h1-7,10-11,13,16H,8-9H2,(H,20,21)(H,22,24)/t16-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443644
PNG
(CHEMBL3093080)
Show SMILES Fc1cnc2[nH]cc(-c3nnc(N[C@H](C4CC4)c4cccnc4F)o3)c2c1 |r|
Show InChI InChI=1S/C18H14F2N6O/c19-10-6-12-13(8-23-16(12)22-7-10)17-25-26-18(27-17)24-14(9-3-4-9)11-2-1-5-21-15(11)20/h1-2,5-9,14H,3-4H2,(H,22,23)(H,24,26)/t14-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443646
PNG
(CHEMBL3093078)
Show SMILES Fc1ccccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncncc12)C1CC1 |r|
Show InChI InChI=1S/C18H15FN6O/c19-14-4-2-1-3-11(14)15(10-5-6-10)23-18-25-24-17(26-18)13-8-21-16-12(13)7-20-9-22-16/h1-4,7-10,15H,5-6H2,(H,23,25)(H,20,21,22)/t15-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443647
PNG
(CHEMBL3093077)
Show SMILES Fc1cnccc1[C@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)C1CC1 |r|
Show InChI InChI=1S/C18H15FN6O/c19-14-9-20-7-5-12(14)15(10-3-4-10)23-18-25-24-17(26-18)13-8-22-16-11(13)2-1-6-21-16/h1-2,5-10,15H,3-4H2,(H,21,22)(H,23,25)/t15-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396298
PNG
(CHEMBL2172489)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cnn(c1)C1CC1
Show InChI InChI=1S/C20H19N11/c1-11-24-18(28-20(21)25-11)17-19(26-15-6-7-22-29-15)27-16-5-2-12(9-30(16)17)13-8-23-31(10-13)14-3-4-14/h2,5-10,14H,3-4H2,1H3,(H2,22,26,29)(H2,21,24,25,28)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50341035
PNG
(1-(4-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-b...)
Show SMILES CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
Show InChI InChI=1S/C19H19N9O/c1-11-22-16(20)27-17(23-11)28-15-6-4-3-5-14(15)26-18(28)24-12-7-9-13(10-8-12)25-19(29)21-2/h3-10H,1-2H3,(H,24,26)(H2,21,25,29)(H2,20,22,23,27)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mTOR assessed as inhibition of phosphorylation of 4EBP1 by Lantha-Screen enzyme assay


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443651
PNG
(CHEMBL3093073)
Show SMILES CC(C)[C@@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1 |r|
Show InChI InChI=1S/C19H19N5O/c1-12(2)16(13-7-4-3-5-8-13)22-19-24-23-18(25-19)15-11-21-17-14(15)9-6-10-20-17/h3-12,16H,1-2H3,(H,20,21)(H,22,24)/t16-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396302
PNG
(CHEMBL2172485)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cncnc1
Show InChI InChI=1S/C18H15N11/c1-10-23-16(27-18(19)24-10)15-17(25-13-4-5-22-28-13)26-14-3-2-11(8-29(14)15)12-6-20-9-21-7-12/h2-9H,1H3,(H2,22,25,28)(H2,19,23,24,27)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396305
PNG
(CHEMBL2172482)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cnccc1C
Show InChI InChI=1S/C20H18N10/c1-11-5-7-22-9-14(11)13-3-4-16-27-19(26-15-6-8-23-29-15)17(30(16)10-13)18-24-12(2)25-20(21)28-18/h3-10H,1-2H3,(H2,23,26,29)(H2,21,24,25,28)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50341054
PNG
(3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396297
PNG
(CHEMBL2172490)
Show SMILES Cc1cc(on1)-c1ccc2nc(Nc3ccn[nH]3)c(-c3nc(C)nc(N)n3)n2c1
Show InChI InChI=1S/C18H16N10O/c1-9-7-12(29-27-9)11-3-4-14-24-17(23-13-5-6-20-26-13)15(28(14)8-11)16-21-10(2)22-18(19)25-16/h3-8H,1-2H3,(H2,20,23,26)(H2,19,21,22,25)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396322
PNG
(CHEMBL2172629)
Show SMILES CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn[nH]2)nc2cccnn12
Show InChI InChI=1S/C16H15N9O/c1-9-19-11(8-13(20-9)21-10(2)26)15-16(22-12-5-7-17-24-12)23-14-4-3-6-18-25(14)15/h3-8H,1-2H3,(H2,17,22,24)(H,19,20,21,26)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396301
PNG
(CHEMBL2172486)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cncnc1C
Show InChI InChI=1S/C19H17N11/c1-10-13(7-21-9-22-10)12-3-4-15-27-18(26-14-5-6-23-29-14)16(30(15)8-12)17-24-11(2)25-19(20)28-17/h3-9H,1-2H3,(H2,23,26,29)(H2,20,24,25,28)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396316
PNG
(CHEMBL2172635)
Show SMILES COc1cnnc(Nc2cc(nc(C)n2)-c2c(Nc3ccn[nH]3)nc3cccnn23)c1
Show InChI InChI=1S/C19H17N11O/c1-11-23-13(9-15(24-11)25-16-8-12(31-2)10-21-29-16)18-19(26-14-5-7-20-28-14)27-17-4-3-6-22-30(17)18/h3-10H,1-2H3,(H2,20,26,28)(H,23,24,25,29)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396308
PNG
(CHEMBL2172636)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cccnc1
Show InChI InChI=1S/C19H16N10/c1-11-23-17(27-19(20)24-11)16-18(25-14-6-8-22-28-14)26-15-5-4-13(10-29(15)16)12-3-2-7-21-9-12/h2-10H,1H3,(H2,22,25,28)(H2,20,23,24,27)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396307
PNG
(CHEMBL2172480)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cccnc1C
Show InChI InChI=1S/C20H18N10/c1-11-14(4-3-8-22-11)13-5-6-16-27-19(26-15-7-9-23-29-15)17(30(16)10-13)18-24-12(2)25-20(21)28-18/h3-10H,1-2H3,(H2,23,26,29)(H2,21,24,25,28)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443645
PNG
(CHEMBL3093079)
Show SMILES Fc1ccc2c(c[nH]c2n1)-c1nnc(N[C@H](C2CC2)c2cccnc2F)o1 |r|
Show InChI InChI=1S/C18H14F2N6O/c19-13-6-5-10-12(8-22-16(10)23-13)17-25-26-18(27-17)24-14(9-3-4-9)11-2-1-7-21-15(11)20/h1-2,5-9,14H,3-4H2,(H,22,23)(H,24,26)/t14-/m1/s1
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n/an/a 3.90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396303
PNG
(CHEMBL2172484)
Show SMILES Cc1cc(ccn1)-c1ccc2nc(Nc3ccn[nH]3)c(-c3nc(C)nc(N)n3)n2c1
Show InChI InChI=1S/C20H18N10/c1-11-9-13(5-7-22-11)14-3-4-16-27-19(26-15-6-8-23-29-15)17(30(16)10-14)18-24-12(2)25-20(21)28-18/h3-10H,1-2H3,(H2,23,26,29)(H2,21,24,25,28)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341054
PNG
(3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443652
PNG
(CHEMBL3093072)
Show SMILES CC[C@@H](Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1 |r|
Show InChI InChI=1S/C18H17N5O/c1-2-15(12-7-4-3-5-8-12)21-18-23-22-17(24-18)14-11-20-16-13(14)9-6-10-19-16/h3-11,15H,2H2,1H3,(H,19,20)(H,21,23)/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50341056
PNG
(5-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cc(O)cc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O2/c1-9-19-15(18)23-16(20-9)24-14-5-3-2-4-13(14)22-17(24)21-10-6-11(25)8-12(26)7-10/h2-8,25-26H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396299
PNG
(CHEMBL2172488)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cncn1C
Show InChI InChI=1S/C18H17N11/c1-10-22-16(26-18(19)23-10)15-17(24-13-5-6-21-27-13)25-14-4-3-11(8-29(14)15)12-7-20-9-28(12)2/h3-9H,1-2H3,(H2,21,24,27)(H2,19,22,23,26)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50341056
PNG
(5-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cc(O)cc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O2/c1-9-19-15(18)23-16(20-9)24-14-5-3-2-4-13(14)22-17(24)21-10-6-11(25)8-12(26)7-10/h2-8,25-26H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of AKT at S473


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50341035
PNG
(1-(4-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-b...)
Show SMILES CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
Show InChI InChI=1S/C19H19N9O/c1-11-22-16(20)27-17(23-11)28-15-6-4-3-5-14(15)26-18(28)24-12-7-9-13(10-8-12)25-19(29)21-2/h3-10H,1-2H3,(H,24,26)(H2,21,25,29)(H2,20,22,23,27)
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396321
PNG
(CHEMBL2172630)
Show SMILES Cc1nc(Nc2cnccn2)cc(n1)-c1c(Nc2ccn[nH]2)nc2cccnn12
Show InChI InChI=1S/C18H15N11/c1-11-23-12(9-14(24-11)25-15-10-19-7-8-20-15)17-18(26-13-4-6-21-28-13)27-16-3-2-5-22-29(16)17/h2-10H,1H3,(H2,21,26,28)(H,20,23,24,25)
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396309
PNG
(CHEMBL2172640)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1ccncc1
Show InChI InChI=1S/C19H16N10/c1-11-23-17(27-19(20)24-11)16-18(25-14-6-9-22-28-14)26-15-3-2-13(10-29(15)16)12-4-7-21-8-5-12/h2-10H,1H3,(H2,22,25,28)(H2,20,23,24,27)
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50443653
PNG
(CHEMBL3093071)
Show SMILES CC(C)(Nc1nnc(o1)-c1c[nH]c2ncccc12)c1ccccc1
Show InChI InChI=1S/C18H17N5O/c1-18(2,12-7-4-3-5-8-12)21-17-23-22-16(24-17)14-11-20-15-13(14)9-6-10-19-15/h3-11H,1-2H3,(H,19,20)(H,21,23)
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) using ULight peptide as substrate by HTRF assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50341054
PNG
(3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mTOR assessed as inhibition of phosphorylation of 4EBP1 by Lantha-Screen enzyme assay


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50341054
PNG
(3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50341063
PNG
(2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...)
Show SMILES Cc1nc(NCC#N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C19H16N8O/c1-12-22-17(21-10-9-20)26-18(23-12)27-16-8-3-2-7-15(16)25-19(27)24-13-5-4-6-14(28)11-13/h2-8,11,28H,10H2,1H3,(H,24,25)(H,21,22,23,26)
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mTOR assessed as inhibition of phosphorylation of 4EBP1 by Lantha-Screen enzyme assay


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by HTRF assay


J Med Chem 53: 6368-77 (2010)


Article DOI: 10.1021/jm100394y
BindingDB Entry DOI: 10.7270/Q2C829H0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50341054
PNG
(3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50341054
PNG
(3-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-benz...)
Show SMILES Cc1nc(N)nc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
Show InChI InChI=1S/C17H15N7O/c1-10-19-15(18)23-16(20-10)24-14-8-3-2-7-13(14)22-17(24)21-11-5-4-6-12(25)9-11/h2-9,25H,1H3,(H,21,22)(H2,18,19,20,23)
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of AKT at S473


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396314
PNG
(CHEMBL2172475)
Show SMILES CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn[nH]2)nc2ccccn12
Show InChI InChI=1S/C17H16N8O/c1-10-19-12(9-14(20-10)21-11(2)26)16-17(22-13-6-7-18-24-13)23-15-5-3-4-8-25(15)16/h3-9H,1-2H3,(H2,18,22,24)(H,19,20,21,26)
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443642
PNG
(CHEMBL3093056)
Show SMILES Fc1cc2cc(ccc2cn1)-c1nnc(NCc2ccccc2)o1
Show InChI InChI=1S/C18H13FN4O/c19-16-9-15-8-13(6-7-14(15)11-20-16)17-22-23-18(24-17)21-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,21,23)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443660
PNG
(CHEMBL3093064)
Show SMILES Fc1cccc(CNc2nnc(o2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C16H12FN5O/c17-11-4-1-3-10(7-11)8-20-16-22-21-15(23-16)13-9-19-14-12(13)5-2-6-18-14/h1-7,9H,8H2,(H,18,19)(H,20,22)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396300
PNG
(CHEMBL2172487)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(Nc3ccn[nH]3)c(-c3nc(C)nc(N)n3)n2c1
Show InChI InChI=1S/C22H20N10O/c1-12-25-20(30-22(23)26-12)19-21(28-17-8-9-24-31-17)29-18-7-6-15(11-32(18)19)14-4-3-5-16(10-14)27-13(2)33/h3-11H,1-2H3,(H,27,33)(H2,24,28,31)(H2,23,25,26,30)
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n/an/a 10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50341035
PNG
(1-(4-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-b...)
Show SMILES CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
Show InChI InChI=1S/C19H19N9O/c1-11-22-16(20)27-17(23-11)28-15-6-4-3-5-14(15)26-18(28)24-12-7-9-13(10-8-12)25-19(29)21-2/h3-10H,1-2H3,(H,24,26)(H2,21,25,29)(H2,20,22,23,27)
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50341035
PNG
(1-(4-(1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-1H-b...)
Show SMILES CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)cc1
Show InChI InChI=1S/C19H19N9O/c1-11-22-16(20)27-17(23-11)28-15-6-4-3-5-14(15)26-18(28)24-12-7-9-13(10-8-12)25-19(29)21-2/h3-10H,1-2H3,(H,24,26)(H2,21,25,29)(H2,20,22,23,27)
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of AKT at S473


Bioorg Med Chem Lett 21: 2064-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.007
BindingDB Entry DOI: 10.7270/Q2FT8MBW
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A


(Homo sapiens (Human))
BDBM50443665
PNG
(CHEMBL3093059)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnc(NCc2ccccc2)o1
Show InChI InChI=1S/C16H14N6O/c17-14-12-8-11(6-7-13(12)19-20-14)15-21-22-16(23-15)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,22)(H3,17,19,20)
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cdc7/Dbf4 (unknown origin)-mediated MCM2 phosphorylation at Ser53 by protein A amplified luminescent proximity homogeneous assay


Bioorg Med Chem Lett 23: 6396-400 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.055
BindingDB Entry DOI: 10.7270/Q2P84DC0
More data for this
Ligand-Target Pair
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