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PubMed code 22533986

Compile data set for download or QSAR
Found 181 hits of Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
AKT/p21CIP1


(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 5n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AKT/p21CIP1


(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 5.20n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 14n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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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n/an/a 15n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 15n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 16n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 17n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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 18n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 23n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT


(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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT


(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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397779
PNG
(CHEMBL2177830)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38)
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n/an/a 33n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 34n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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 35n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 44n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AKT/p21CIP1


(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 45n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AKT/p21CIP1


(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 46n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 46n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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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n/an/a 47n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 47n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397789
PNG
(CHEMBL2177837)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H22FN7O/c31-22-6-1-4-20(16-22)30(39)35-17-19-8-10-23(11-9-19)38-28(24-7-3-15-34-27(24)32)37-26-13-12-25(36-29(26)38)21-5-2-14-33-18-21/h1-16,18H,17H2,(H2,32,34)(H,35,39)
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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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 49n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 49n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 50n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 54n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 54n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 55n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 62n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 65n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 67n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 68n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 69n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 80n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50397789
PNG
(CHEMBL2177837)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H22FN7O/c31-22-6-1-4-20(16-22)30(39)35-17-19-8-10-23(11-9-19)38-28(24-7-3-15-34-27(24)32)37-26-13-12-25(36-29(26)38)21-5-2-14-33-18-21/h1-16,18H,17H2,(H2,32,34)(H,35,39)
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n/an/a 80n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 90n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 91n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397789
PNG
(CHEMBL2177837)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H22FN7O/c31-22-6-1-4-20(16-22)30(39)35-17-19-8-10-23(11-9-19)38-28(24-7-3-15-34-27(24)32)37-26-13-12-25(36-29(26)38)21-5-2-14-33-18-21/h1-16,18H,17H2,(H2,32,34)(H,35,39)
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n/an/a 95n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 100n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397785
PNG
(CHEMBL2177826)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)C1CCCC1
Show InChI InChI=1S/C30H28N6O/c31-27-25(11-6-16-32-27)28-35-26-17-23(21-7-4-5-8-21)19-33-29(26)36(28)24-14-12-20(13-15-24)18-34-30(37)22-9-2-1-3-10-22/h1-3,6,9-17,19,21H,4-5,7-8,18H2,(H2,31,32)(H,34,37)
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n/an/a 110n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 110n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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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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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 140n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 140n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397779
PNG
(CHEMBL2177830)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38)
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n/an/a 160n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 170n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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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n/an/a 170n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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 170n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397789
PNG
(CHEMBL2177837)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H22FN7O/c31-22-6-1-4-20(16-22)30(39)35-17-19-8-10-23(11-9-19)38-28(24-7-3-15-34-27(24)32)37-26-13-12-25(36-29(26)38)21-5-2-14-33-18-21/h1-16,18H,17H2,(H2,32,34)(H,35,39)
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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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 200n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397785
PNG
(CHEMBL2177826)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)C1CCCC1
Show InChI InChI=1S/C30H28N6O/c31-27-25(11-6-16-32-27)28-35-26-17-23(21-7-4-5-8-21)19-33-29(26)36(28)24-14-12-20(13-15-24)18-34-30(37)22-9-2-1-3-10-22/h1-3,6,9-17,19,21H,4-5,7-8,18H2,(H2,31,32)(H,34,37)
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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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 210n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 220n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AKT/p21CIP1


(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 250n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397797
PNG
(CHEMBL2177820)
Show SMILES Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C25H26N6O/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/h4-5,8-15,18H,1-3,6-7,16H2,(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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 260n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397795
PNG
(CHEMBL2177824)
Show SMILES Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNCc2ccccc2)cc1
Show InChI InChI=1S/C25H22N6/c26-23-21(8-4-14-28-23)24-30-22-9-5-15-29-25(22)31(24)20-12-10-19(11-13-20)17-27-16-18-6-2-1-3-7-18/h1-15,27H,16-17H2,(H2,26,28)
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n/an/a 260n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397785
PNG
(CHEMBL2177826)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)C1CCCC1
Show InChI InChI=1S/C30H28N6O/c31-27-25(11-6-16-32-27)28-35-26-17-23(21-7-4-5-8-21)19-33-29(26)36(28)24-14-12-20(13-15-24)18-34-30(37)22-9-2-1-3-10-22/h1-3,6,9-17,19,21H,4-5,7-8,18H2,(H2,31,32)(H,34,37)
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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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 310n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397779
PNG
(CHEMBL2177830)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38)
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n/an/a 330n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397789
PNG
(CHEMBL2177837)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H22FN7O/c31-22-6-1-4-20(16-22)30(39)35-17-19-8-10-23(11-9-19)38-28(24-7-3-15-34-27(24)32)37-26-13-12-25(36-29(26)38)21-5-2-14-33-18-21/h1-16,18H,17H2,(H2,32,34)(H,35,39)
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n/an/a 340n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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 370n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 370n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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 390n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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 390n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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 400n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 410n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 410n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 480n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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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n/an/a 660n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397791
PNG
(CHEMBL2177821)
Show SMILES Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C26H22N6O/c27-24-21(8-4-14-28-24)25-31-22-9-5-15-29-26(22)32(25)20-12-10-19(11-13-20)17-30-23(33)16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H2,27,28)(H,30,33)
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n/an/a 660n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50397789
PNG
(CHEMBL2177837)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H22FN7O/c31-22-6-1-4-20(16-22)30(39)35-17-19-8-10-23(11-9-19)38-28(24-7-3-15-34-27(24)32)37-26-13-12-25(36-29(26)38)21-5-2-14-33-18-21/h1-16,18H,17H2,(H2,32,34)(H,35,39)
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n/an/a 660n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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 660n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397779
PNG
(CHEMBL2177830)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38)
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n/an/a 680n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397789
PNG
(CHEMBL2177837)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H22FN7O/c31-22-6-1-4-20(16-22)30(39)35-17-19-8-10-23(11-9-19)38-28(24-7-3-15-34-27(24)32)37-26-13-12-25(36-29(26)38)21-5-2-14-33-18-21/h1-16,18H,17H2,(H2,32,34)(H,35,39)
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n/an/a 690n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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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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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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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n/an/a 700n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 740n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397786
PNG
(CHEMBL2177816)
Show SMILES Nc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1N
Show InChI InChI=1S/C17H14N6/c18-11-5-7-12(8-6-11)23-16(13-3-1-9-20-15(13)19)22-14-4-2-10-21-17(14)23/h1-10H,18H2,(H2,19,20)
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n/an/a 740n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50397785
PNG
(CHEMBL2177826)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)C1CCCC1
Show InChI InChI=1S/C30H28N6O/c31-27-25(11-6-16-32-27)28-35-26-17-23(21-7-4-5-8-21)19-33-29(26)36(28)24-14-12-20(13-15-24)18-34-30(37)22-9-2-1-3-10-22/h1-3,6,9-17,19,21H,4-5,7-8,18H2,(H2,31,32)(H,34,37)
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n/an/a 800n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397784
PNG
(CHEMBL2177822)
Show SMILES CC(=O)NCc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1N
Show InChI InChI=1S/C20H18N6O/c1-13(27)24-12-14-6-8-15(9-7-14)26-19(16-4-2-10-22-18(16)21)25-17-5-3-11-23-20(17)26/h2-11H,12H2,1H3,(H2,21,22)(H,24,27)
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n/an/a 810n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 820n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 840n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 910n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397781
PNG
(CHEMBL2177847)
Show SMILES NCc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1N
Show InChI InChI=1S/C18H16N6/c19-11-12-5-7-13(8-6-12)24-17(14-3-1-9-21-16(14)20)23-15-4-2-10-22-18(15)24/h1-10H,11,19H2,(H2,20,21)
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n/an/a 930n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 950n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397779
PNG
(CHEMBL2177830)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38)
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n/an/a 980n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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 1.00E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(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 1.00E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(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 1.00E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397779
PNG
(CHEMBL2177830)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38)
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n/an/a 1.10E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 1.30E+3n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397789
PNG
(CHEMBL2177837)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H22FN7O/c31-22-6-1-4-20(16-22)30(39)35-17-19-8-10-23(11-9-19)38-28(24-7-3-15-34-27(24)32)37-26-13-12-25(36-29(26)38)21-5-2-14-33-18-21/h1-16,18H,17H2,(H2,32,34)(H,35,39)
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n/an/a 1.30E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397812
PNG
(CHEMBL2177815)
Show SMILES CC(=O)Nc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1N
Show InChI InChI=1S/C19H16N6O/c1-12(26)23-13-6-8-14(9-7-13)25-18(15-4-2-10-21-17(15)20)24-16-5-3-11-22-19(16)25/h2-11H,1H3,(H2,20,21)(H,23,26)
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n/an/a 1.30E+3n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 1.40E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 1.50E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 1.50E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397779
PNG
(CHEMBL2177830)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38)
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n/an/a 1.80E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397789
PNG
(CHEMBL2177837)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1
Show InChI InChI=1S/C30H22FN7O/c31-22-6-1-4-20(16-22)30(39)35-17-19-8-10-23(11-9-19)38-28(24-7-3-15-34-27(24)32)37-26-13-12-25(36-29(26)38)21-5-2-14-33-18-21/h1-16,18H,17H2,(H2,32,34)(H,35,39)
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n/an/a 2.10E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397785
PNG
(CHEMBL2177826)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)C1CCCC1
Show InChI InChI=1S/C30H28N6O/c31-27-25(11-6-16-32-27)28-35-26-17-23(21-7-4-5-8-21)19-33-29(26)36(28)24-14-12-20(13-15-24)18-34-30(37)22-9-2-1-3-10-22/h1-3,6,9-17,19,21H,4-5,7-8,18H2,(H2,31,32)(H,34,37)
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n/an/a 2.10E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 2.50E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 2.50E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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 2.50E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 2.50E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 3.10E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 3.20E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397785
PNG
(CHEMBL2177826)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)C1CCCC1
Show InChI InChI=1S/C30H28N6O/c31-27-25(11-6-16-32-27)28-35-26-17-23(21-7-4-5-8-21)19-33-29(26)36(28)24-14-12-20(13-15-24)18-34-30(37)22-9-2-1-3-10-22/h1-3,6,9-17,19,21H,4-5,7-8,18H2,(H2,31,32)(H,34,37)
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n/an/a 3.70E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397811
PNG
(CHEMBL2177840)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1N
Show InChI InChI=1S/C21H21N5/c1-21(2,3)14-8-10-15(11-9-14)26-19(16-6-4-12-23-18(16)22)25-17-7-5-13-24-20(17)26/h4-13H,1-3H3,(H2,22,23)
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n/an/a 3.90E+3n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 4.20E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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n/an/a 5.60E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397810
PNG
(CHEMBL2177838)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP([O-])(=O)OP([NH-])(=O)OP([O-])([O-])=O)C(O)C1O
Show InChI InChI=1S/C10H16N6O12P3/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(26-10)1-25-31(23,24)28-29(12,19)27-30(20,21)22/h2-4,6-7,10,17-18H,1H2,(H6-,11,12,13,14,19,20,21,22,23,24)/q-1/p-3
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n/an/a 5.90E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells by indirect affinity mass spectrometry assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397803
PNG
(CHEMBL2177843)
Show SMILES COc1ccccc1Cn1c(nc2cc(Br)cnc12)-c1ccncc1
Show InChI InChI=1S/C19H15BrN4O/c1-25-17-5-3-2-4-14(17)12-24-18(13-6-8-21-9-7-13)23-16-10-15(20)11-22-19(16)24/h2-11H,12H2,1H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells by indirect affinity mass spectrometry assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397809
PNG
(CHEMBL2177848)
Show SMILES NCc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1
Show InChI InChI=1S/C18H15N5/c19-11-13-5-7-15(8-6-13)23-17(14-3-1-9-20-12-14)22-16-4-2-10-21-18(16)23/h1-10,12H,11,19H2
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n/an/a 8.80E+3n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397785
PNG
(CHEMBL2177826)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)C1CCCC1
Show InChI InChI=1S/C30H28N6O/c31-27-25(11-6-16-32-27)28-35-26-17-23(21-7-4-5-8-21)19-33-29(26)36(28)24-14-12-20(13-15-24)18-34-30(37)22-9-2-1-3-10-22/h1-3,6,9-17,19,21H,4-5,7-8,18H2,(H2,31,32)(H,34,37)
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n/an/a 9.40E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(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>1.00E+4n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(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 CYP2C8 in human liver microsomes using paclitaxel as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(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 CYP2D6 in human liver microsomes using bufuralol as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(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 CYP1A2 in human liver microsomes using phenacetin as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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 CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397785
PNG
(CHEMBL2177826)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)C1CCCC1
Show InChI InChI=1S/C30H28N6O/c31-27-25(11-6-16-32-27)28-35-26-17-23(21-7-4-5-8-21)19-33-29(26)36(28)24-14-12-20(13-15-24)18-34-30(37)22-9-2-1-3-10-22/h1-3,6,9-17,19,21H,4-5,7-8,18H2,(H2,31,32)(H,34,37)
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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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 CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(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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n/an/a>1.00E+4n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(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>1.00E+4n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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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n/an/a>1.00E+4n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysis


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(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 CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 1A


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 10 mins


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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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ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397785
PNG
(CHEMBL2177826)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)C1CCCC1
Show InChI InChI=1S/C30H28N6O/c31-27-25(11-6-16-32-27)28-35-26-17-23(21-7-4-5-8-21)19-33-29(26)36(28)24-14-12-20(13-15-24)18-34-30(37)22-9-2-1-3-10-22/h1-3,6,9-17,19,21H,4-5,7-8,18H2,(H2,31,32)(H,34,37)
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n/an/a 1.20E+4n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells by indirect affinity mass spectrometry assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397808
PNG
(CHEMBL2177823)
Show SMILES Nc1ncccc1-c1nc2cccnc2n1-c1cccc(CNC(=O)c2ccccc2)c1
Show InChI InChI=1S/C25H20N6O/c26-22-20(11-5-13-27-22)23-30-21-12-6-14-28-24(21)31(23)19-10-4-7-17(15-19)16-29-25(32)18-8-2-1-3-9-18/h1-15H,16H2,(H2,26,27)(H,29,32)
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n/an/a 1.30E+4n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(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 1.40E+4n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells by indirect affinity mass spectrometry assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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 2.20E+4n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(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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n/an/a 2.40E+4n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50397779
PNG
(CHEMBL2177830)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38)
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n/an/a 5.10E+4n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397807
PNG
(CHEMBL2177841)
Show SMILES COc1ccccc1Cn1c(nc2cccnc12)-c1cccnc1N
Show InChI InChI=1S/C19H17N5O/c1-25-16-9-3-2-6-13(16)12-24-18(14-7-4-10-21-17(14)20)23-15-8-5-11-22-19(15)24/h2-11H,12H2,1H3,(H2,20,21)
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n/an/a 5.80E+4n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM15138
PNG
(5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1
Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (1 to 480) expressed in Sf9 cells by indirect affinity mass spectrometry assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50397779
PNG
(CHEMBL2177830)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38)
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n/an/a>1.00E+5n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50397785
PNG
(CHEMBL2177826)
Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)C1CCCC1
Show InChI InChI=1S/C30H28N6O/c31-27-25(11-6-16-32-27)28-35-26-17-23(21-7-4-5-8-21)19-33-29(26)36(28)24-14-12-20(13-15-24)18-34-30(37)22-9-2-1-3-10-22/h1-3,6,9-17,19,21H,4-5,7-8,18H2,(H2,31,32)(H,34,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of Akt3 (1 to 479) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay


J Med Chem 55: 5291-310 (2012)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397806
PNG
(CHEMBL2177844)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1
Show InChI InChI=1S/C21H20N4/c1-21(2,3)16-8-10-17(11-9-16)25-19(15-6-4-12-22-14-15)24-18-7-5-13-23-20(18)25/h4-14H,1-3H3
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n/an/a 1.85E+5n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397801
PNG
(CHEMBL2177846)
Show SMILES CC(C)(C)c1cccc(c1)-n1c(nc2cccnc12)-c1cccnc1N
Show InChI InChI=1S/C21H21N5/c1-21(2,3)14-7-4-8-15(13-14)26-19(16-9-5-11-23-18(16)22)25-17-10-6-12-24-20(17)26/h4-13H,1-3H3,(H2,22,23)
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n/an/a>3.00E+5n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397804
PNG
(CHEMBL2177842)
Show SMILES COc1ccccc1Cn1c(nc2cc(Br)cnc12)-c1cccnc1N
Show InChI InChI=1S/C19H16BrN5O/c1-26-16-7-3-2-5-12(16)11-25-18(14-6-4-8-22-17(14)21)24-15-9-13(20)10-23-19(15)25/h2-10H,11H2,1H3,(H2,21,22)
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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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397803
PNG
(CHEMBL2177843)
Show SMILES COc1ccccc1Cn1c(nc2cc(Br)cnc12)-c1ccncc1
Show InChI InChI=1S/C19H15BrN4O/c1-25-17-5-3-2-4-14(17)12-24-18(13-6-8-21-9-7-13)23-16-10-15(20)11-22-19(16)24/h2-11H,12H2,1H3
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n/an/a>3.00E+5n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397805
PNG
(CHEMBL2177839)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(nc2cccnc12)-c1ccncc1
Show InChI InChI=1S/C21H20N4/c1-21(2,3)16-6-8-17(9-7-16)25-19(15-10-13-22-14-11-15)24-18-5-4-12-23-20(18)25/h4-14H,1-3H3
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n/an/a>3.00E+5n/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)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50397802
PNG
(CHEMBL2177845)
Show SMILES CC(C)(C)c1ccc(cc1)-n1c(nc2cc(Br)cnc12)-c1cccnc1N
Show InChI InChI=1S/C21H20BrN5/c1-21(2,3)13-6-8-15(9-7-13)27-19(16-5-4-10-24-18(16)23)26-17-11-14(22)12-25-20(17)27/h4-12H,1-3H3,(H2,23,24)
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n/an/a>3.00E+5n/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)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%