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Compile Data Set for Download or QSAR

Found 286 hits with Last Name = 'makhija' and Initial = 's'   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536168
PNG
(CHEMBL4574111)
Show SMILES Cl.Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C27H25N7/c28-19-5-1-4-17(16-19)22-11-12-23-26(32-22)34(25(33-23)21-6-2-15-31-24(21)29)20-9-7-18(8-10-20)27(30)13-3-14-27/h1-2,4-12,15-16H,3,13-14,28,30H2,(H2,29,31)
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n/an/a 1.90n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536169
PNG
(CHEMBL4519558)
Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C29H27N7O/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length active AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536170
PNG
(CHEMBL4544109)
Show SMILES Cl.Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccnc1
Show InChI InChI=1S/C26H23N7/c27-23-20(5-2-15-30-23)24-32-22-11-10-21(17-4-1-14-29-16-17)31-25(22)33(24)19-8-6-18(7-9-19)26(28)12-3-13-26/h1-2,4-11,14-16H,3,12-13,28H2,(H2,27,30)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536168
PNG
(CHEMBL4574111)
Show SMILES Cl.Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C27H25N7/c28-19-5-1-4-17(16-19)22-11-12-23-26(32-22)34(25(33-23)21-6-2-15-31-24(21)29)20-9-7-18(8-10-20)27(30)13-3-14-27/h1-2,4-12,15-16H,3,13-14,28,30H2,(H2,29,31)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length active AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536167
PNG
(CHEMBL4523032)
Show SMILES Cl.Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536169
PNG
(CHEMBL4519558)
Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C29H27N7O/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536168
PNG
(CHEMBL4574111)
Show SMILES Cl.Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C27H25N7/c28-19-5-1-4-17(16-19)22-11-12-23-26(32-22)34(25(33-23)21-6-2-15-31-24(21)29)20-9-7-18(8-10-20)27(30)13-3-14-27/h1-2,4-12,15-16H,3,13-14,28,30H2,(H2,29,31)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length active AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536169
PNG
(CHEMBL4519558)
Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C29H27N7O/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length active AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536172
PNG
(CHEMBL4513257)
Show SMILES Cl.NCc1ccc(cc1)-n1c(nc2ccc(nc12)-c1ccccc1)-c1cccnc1N
Show InChI InChI=1S/C24H20N6/c25-15-16-8-10-18(11-9-16)30-23(19-7-4-14-27-22(19)26)29-21-13-12-20(28-24(21)30)17-5-2-1-3-6-17/h1-14H,15,25H2,(H2,26,27)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536168
PNG
(CHEMBL4574111)
Show SMILES Cl.Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C27H25N7/c28-19-5-1-4-17(16-19)22-11-12-23-26(32-22)34(25(33-23)21-6-2-15-31-24(21)29)20-9-7-18(8-10-20)27(30)13-3-14-27/h1-2,4-12,15-16H,3,13-14,28,30H2,(H2,29,31)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536167
PNG
(CHEMBL4523032)
Show SMILES Cl.Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length active AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536167
PNG
(CHEMBL4523032)
Show SMILES Cl.Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length active AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397798
PNG
(CHEMBL2177836)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397783
PNG
(CHEMBL2177833)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H22FN7O/c31-23-6-1-4-20(14-23)30(39)36-16-19-8-10-24(11-9-19)38-28(25-7-3-13-34-27(25)32)37-26-15-22(18-35-29(26)38)21-5-2-12-33-17-21/h1-15,17-18H,16H2,(H2,32,34)(H,36,39)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536168
PNG
(CHEMBL4574111)
Show SMILES Cl.Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C27H25N7/c28-19-5-1-4-17(16-19)22-11-12-23-26(32-22)34(25(33-23)21-6-2-15-31-24(21)29)20-9-7-18(8-10-20)27(30)13-3-14-27/h1-2,4-12,15-16H,3,13-14,28,30H2,(H2,29,31)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536169
PNG
(CHEMBL4519558)
Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C29H27N7O/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536178
PNG
(CHEMBL4528363)
Show SMILES CC(C)(N)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1ccccc1)-c1cccnc1N
Show InChI InChI=1S/C26H24N6/c1-26(2,28)18-10-12-19(13-11-18)32-24(20-9-6-16-29-23(20)27)31-22-15-14-21(30-25(22)32)17-7-4-3-5-8-17/h3-16H,28H2,1-2H3,(H2,27,29)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536170
PNG
(CHEMBL4544109)
Show SMILES Cl.Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccnc1
Show InChI InChI=1S/C26H23N7/c27-23-20(5-2-15-30-23)24-32-22-11-10-21(17-4-1-14-29-16-17)31-25(22)33(24)19-8-6-18(7-9-19)26(28)12-3-13-26/h1-2,4-11,14-16H,3,12-13,28H2,(H2,27,30)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536169
PNG
(CHEMBL4519558)
Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C29H27N7O/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397780
PNG
(CHEMBL2177831)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H23N7O/c31-27-25(9-5-15-33-27)28-36-26-16-23(22-8-4-14-32-18-22)19-34-29(26)37(28)24-12-10-20(11-13-24)17-35-30(38)21-6-2-1-3-7-21/h1-16,18-19H,17H2,(H2,31,33)(H,35,38)
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n/an/a 8n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536167
PNG
(CHEMBL4523032)
Show SMILES Cl.Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536168
PNG
(CHEMBL4574111)
Show SMILES Cl.Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C27H25N7/c28-19-5-1-4-17(16-19)22-11-12-23-26(32-22)34(25(33-23)21-6-2-15-31-24(21)29)20-9-7-18(8-10-20)27(30)13-3-14-27/h1-2,4-12,15-16H,3,13-14,28,30H2,(H2,29,31)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length active AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536173
PNG
(CHEMBL4546484)
Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CN)cc3)c2n1
Show InChI InChI=1S/C26H23N7O/c1-16(34)30-19-5-2-4-18(14-19)22-11-12-23-26(31-22)33(20-9-7-17(15-27)8-10-20)25(32-23)21-6-3-13-29-24(21)28/h2-14H,15,27H2,1H3,(H2,28,29)(H,30,34)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397800
PNG
(CHEMBL2177817)
Show SMILES Nc1ncccc1-c1nc2cccnc2n1-c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C24H18N6O/c25-21-19(8-4-14-26-21)22-29-20-9-5-15-27-23(20)30(22)18-12-10-17(11-13-18)28-24(31)16-6-2-1-3-7-16/h1-15H,(H2,25,26)(H,28,31)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536181
PNG
(CHEMBL4576518)
Show SMILES Cl.NCc1ccc(cc1)-n1c(nc2ccc(nc12)-c1cn[nH]c1)-c1cccnc1N
Show InChI InChI=1S/C21H18N8/c22-10-13-3-5-15(6-4-13)29-20(16-2-1-9-24-19(16)23)28-18-8-7-17(27-21(18)29)14-11-25-26-12-14/h1-9,11-12H,10,22H2,(H2,23,24)(H,25,26)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536167
PNG
(CHEMBL4523032)
Show SMILES Cl.Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397782
PNG
(CHEMBL2177834)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4ccccc4)cc3)c2n1
Show InChI InChI=1S/C33H27N7O2/c1-21(41)37-25-10-5-9-24(19-25)28-16-17-29-32(38-28)40(31(39-29)27-11-6-18-35-30(27)34)26-14-12-22(13-15-26)20-36-33(42)23-7-3-2-4-8-23/h2-19H,20H2,1H3,(H2,34,35)(H,36,42)(H,37,41)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397794
PNG
(CHEMBL2177827)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC(=O)Nc4ccccc4)cc3)c2n1
Show InChI InChI=1S/C33H27N7O2/c1-21(41)36-25-10-5-7-23(20-25)28-16-17-29-33(38-28)40(32(39-29)27-11-6-18-35-31(27)34)26-14-12-22(13-15-26)19-30(42)37-24-8-3-2-4-9-24/h2-18,20H,19H2,1H3,(H2,34,35)(H,36,41)(H,37,42)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397796
PNG
(CHEMBL2177828)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC(=O)Nc4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)37-24-7-2-5-22(18-24)28-14-15-29-33(39-28)41(32(40-29)27-9-4-16-36-31(27)35)26-12-10-21(11-13-26)17-30(43)38-25-8-3-6-23(34)19-25/h2-16,18-19H,17H2,1H3,(H2,35,36)(H,37,42)(H,38,43)
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n/an/a 15n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human A2780 cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397794
PNG
(CHEMBL2177827)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC(=O)Nc4ccccc4)cc3)c2n1
Show InChI InChI=1S/C33H27N7O2/c1-21(41)36-25-10-5-7-23(20-25)28-16-17-29-33(38-28)40(32(39-29)27-11-6-18-35-31(27)34)26-14-12-22(13-15-26)19-30(42)37-24-8-3-2-4-9-24/h2-18,20H,19H2,1H3,(H2,34,35)(H,36,41)(H,37,42)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536167
PNG
(CHEMBL4523032)
Show SMILES Cl.Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length active AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536181
PNG
(CHEMBL4576518)
Show SMILES Cl.NCc1ccc(cc1)-n1c(nc2ccc(nc12)-c1cn[nH]c1)-c1cccnc1N
Show InChI InChI=1S/C21H18N8/c22-10-13-3-5-15(6-4-13)29-20(16-2-1-9-24-19(16)23)28-18-8-7-17(27-21(18)29)14-11-25-26-12-14/h1-9,11-12H,10,22H2,(H2,23,24)(H,25,26)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397796
PNG
(CHEMBL2177828)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC(=O)Nc4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)37-24-7-2-5-22(18-24)28-14-15-29-33(39-28)41(32(40-29)27-9-4-16-36-31(27)35)26-12-10-21(11-13-26)17-30(43)38-25-8-3-6-23(34)19-25/h2-16,18-19H,17H2,1H3,(H2,35,36)(H,37,42)(H,38,43)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397798
PNG
(CHEMBL2177836)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536169
PNG
(CHEMBL4519558)
Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C29H27N7O/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length active AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397790
PNG
(CHEMBL2177819)
Show SMILES Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H20N6O/c26-22-20(8-4-14-27-22)23-30-21-9-5-15-28-24(21)31(23)19-12-10-17(11-13-19)16-29-25(32)18-6-2-1-3-7-18/h1-15H,16H2,(H2,26,27)(H,29,32)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397793
PNG
(CHEMBL2177835)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H24N6O/c32-28-25(12-7-19-33-28)29-36-27-18-17-26(22-8-3-1-4-9-22)35-30(27)37(29)24-15-13-21(14-16-24)20-34-31(38)23-10-5-2-6-11-23/h1-19H,20H2,(H2,32,33)(H,34,38)
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n/an/a 24n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536173
PNG
(CHEMBL4546484)
Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CN)cc3)c2n1
Show InChI InChI=1S/C26H23N7O/c1-16(34)30-19-5-2-4-18(14-19)22-11-12-23-26(31-22)33(20-9-7-17(15-27)8-10-20)25(32-23)21-6-3-13-29-24(21)28/h2-14H,15,27H2,1H3,(H2,28,29)(H,30,34)
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n/an/a 24n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397796
PNG
(CHEMBL2177828)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC(=O)Nc4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)37-24-7-2-5-22(18-24)28-14-15-29-33(39-28)41(32(40-29)27-9-4-16-36-31(27)35)26-12-10-21(11-13-26)17-30(43)38-25-8-3-6-23(34)19-25/h2-16,18-19H,17H2,1H3,(H2,35,36)(H,37,42)(H,38,43)
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n/an/a 24n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397792
PNG
(CHEMBL2177829)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H23N7O/c31-28-24(9-5-17-33-28)29-36-26-15-14-25(21-6-4-16-32-19-21)35-30(26)37(29)23-12-10-20(11-13-23)18-27(38)34-22-7-2-1-3-8-22/h1-17,19H,18H2,(H2,31,33)(H,34,38)
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n/an/a 25n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536170
PNG
(CHEMBL4544109)
Show SMILES Cl.Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccnc1
Show InChI InChI=1S/C26H23N7/c27-23-20(5-2-15-30-23)24-32-22-11-10-21(17-4-1-14-29-16-17)31-25(22)33(24)19-8-6-18(7-9-19)26(28)12-3-13-26/h1-2,4-11,14-16H,3,12-13,28H2,(H2,27,30)
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n/an/a 26n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397799
PNG
(CHEMBL2177825)
Show SMILES Nc1ncccc1-c1nc2cc(Br)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H19BrN6O/c26-18-13-21-24(29-15-18)32(23(31-21)20-7-4-12-28-22(20)27)19-10-8-16(9-11-19)14-30-25(33)17-5-2-1-3-6-17/h1-13,15H,14H2,(H2,27,28)(H,30,33)
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n/an/a 27n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397783
PNG
(CHEMBL2177833)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H22FN7O/c31-23-6-1-4-20(14-23)30(39)36-16-19-8-10-24(11-9-19)38-28(25-7-3-13-34-27(25)32)37-26-15-22(18-35-29(26)38)21-5-2-12-33-17-21/h1-15,17-18H,16H2,(H2,32,34)(H,36,39)
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n/an/a 27n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397798
PNG
(CHEMBL2177836)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)
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n/an/a 27n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397787
PNG
(CHEMBL2177832)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H23N7O/c31-27-24(9-5-17-33-27)28-36-26-15-14-25(22-8-4-16-32-19-22)35-29(26)37(28)23-12-10-20(11-13-23)18-34-30(38)21-6-2-1-3-7-21/h1-17,19H,18H2,(H2,31,33)(H,34,38)
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n/an/a 28n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397788
PNG
(CHEMBL2177818)
Show SMILES Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C25H20N6O/c26-23-20(8-4-14-27-23)24-30-21-9-5-15-28-25(21)31(24)19-12-10-17(11-13-19)16-22(32)29-18-6-2-1-3-7-18/h1-15H,16H2,(H2,26,27)(H,29,32)
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n/an/a 28n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397780
PNG
(CHEMBL2177831)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H23N7O/c31-27-25(9-5-15-33-27)28-36-26-16-23(22-8-4-14-32-18-22)19-34-29(26)37(28)24-12-10-20(11-13-24)17-35-30(38)21-6-2-1-3-7-21/h1-16,18-19H,17H2,(H2,31,33)(H,35,38)
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n/an/a 30n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397798
PNG
(CHEMBL2177836)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)
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n/an/a 32n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human A2780 cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50397787
PNG
(CHEMBL2177832)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H23N7O/c31-27-24(9-5-17-33-27)28-36-26-15-14-25(22-8-4-16-32-19-22)35-29(26)37(28)23-12-10-20(11-13-23)18-34-30(38)21-6-2-1-3-7-21/h1-17,19H,18H2,(H2,31,33)(H,34,38)
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n/an/a 32n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)


Article DOI: 10.1021/jm300276x
BindingDB Entry DOI: 10.7270/Q2NK3G5J
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536172
PNG
(CHEMBL4513257)
Show SMILES Cl.NCc1ccc(cc1)-n1c(nc2ccc(nc12)-c1ccccc1)-c1cccnc1N
Show InChI InChI=1S/C24H20N6/c25-15-16-8-10-18(11-9-16)30-23(19-7-4-14-27-22(19)26)29-21-13-12-20(28-24(21)30)17-5-2-1-3-6-17/h1-14H,15,25H2,(H2,26,27)
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n/an/a 33n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
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