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Compile Data Set for Download or QSAR

Found 326 hits from ArQule, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108434
PNG
(US8609688, 12)
Show SMILES CC(=O)NC1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C34H36N8O/c1-22(43)38-25-14-19-41(20-15-25)27-6-2-5-23(21-27)29-12-13-30-33(39-29)42(32(40-30)28-7-3-18-37-31(28)35)26-10-8-24(9-11-26)34(36)16-4-17-34/h2-3,5-13,18,21,25H,4,14-17,19-20,36H2,1H3,(H2,35,37)(H,38,43)
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n/an/a 1.44n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108434
PNG
(US8609688, 12)
Show SMILES CC(=O)NC1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C34H36N8O/c1-22(43)38-25-14-19-41(20-15-25)27-6-2-5-23(21-27)29-12-13-30-33(39-29)42(32(40-30)28-7-3-18-37-31(28)35)26-10-8-24(9-11-26)34(36)16-4-17-34/h2-3,5-13,18,21,25H,4,14-17,19-20,36H2,1H3,(H2,35,37)(H,38,43)
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n/an/a 1.44n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108430
PNG
(US8609688, 8)
Show SMILES C[C@@H](O)CNC(=O)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C31H31N7O2/c1-19(39)18-35-30(40)21-6-2-5-20(17-21)25-12-13-26-29(36-25)38(28(37-26)24-7-3-16-34-27(24)32)23-10-8-22(9-11-23)31(33)14-4-15-31/h2-3,5-13,16-17,19,39H,4,14-15,18,33H2,1H3,(H2,32,34)(H,35,40)/t19-/m1/s1
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n/an/a 1.5n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108430
PNG
(US8609688, 8)
Show SMILES C[C@@H](O)CNC(=O)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C31H31N7O2/c1-19(39)18-35-30(40)21-6-2-5-20(17-21)25-12-13-26-29(36-25)38(28(37-26)24-7-3-16-34-27(24)32)23-10-8-22(9-11-23)31(33)14-4-15-31/h2-3,5-13,16-17,19,39H,4,14-15,18,33H2,1H3,(H2,32,34)(H,35,40)/t19-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108428
PNG
(US8609688, 6)
Show SMILES CC(C)(O)C(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C31H31N7O2/c1-30(2,40)29(39)35-21-7-3-6-19(18-21)24-13-14-25-28(36-24)38(27(37-25)23-8-4-17-34-26(23)32)22-11-9-20(10-12-22)31(33)15-5-16-31/h3-4,6-14,17-18,40H,5,15-16,33H2,1-2H3,(H2,32,34)(H,35,39)
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n/an/a 1.63n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108428
PNG
(US8609688, 6)
Show SMILES CC(C)(O)C(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C31H31N7O2/c1-30(2,40)29(39)35-21-7-3-6-19(18-21)24-13-14-25-28(36-24)38(27(37-25)23-8-4-17-34-26(23)32)22-11-9-20(10-12-22)31(33)15-5-16-31/h3-4,6-14,17-18,40H,5,15-16,33H2,1-2H3,(H2,32,34)(H,35,39)
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n/an/a 1.63n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130225
PNG
(US8815854, 14)
Show SMILES Nc1nccnc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C26H23N7/c27-23-22(29-15-16-30-23)25-32-21-12-11-20(17-5-2-1-3-6-17)31-24(21)33(25)19-9-7-18(8-10-19)26(28)13-4-14-26/h1-3,5-12,15-16H,4,13-14,28H2,(H2,27,30)
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n/an/a 1.69n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108426
PNG
(US8609688, 4)
Show SMILES CC(C)(C)C(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C32H33N7O/c1-31(2,3)30(40)36-22-8-4-7-20(19-22)25-14-15-26-29(37-25)39(28(38-26)24-9-5-18-35-27(24)33)23-12-10-21(11-13-23)32(34)16-6-17-32/h4-5,7-15,18-19H,6,16-17,34H2,1-3H3,(H2,33,35)(H,36,40)
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n/an/a 1.70n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108426
PNG
(US8609688, 4)
Show SMILES CC(C)(C)C(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C32H33N7O/c1-31(2,3)30(40)36-22-8-4-7-20(19-22)25-14-15-26-29(37-25)39(28(38-26)24-9-5-18-35-27(24)33)23-12-10-21(11-13-23)32(34)16-6-17-32/h4-5,7-15,18-19H,6,16-17,34H2,1-3H3,(H2,33,35)(H,36,40)
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n/an/a 1.70n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108440
PNG
(US8609688, 18)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(c1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C31H31N7O2S/c32-28-25(6-2-15-34-28)29-36-27-12-11-26(21-4-1-5-24(20-21)37-16-18-41(39,40)19-17-37)35-30(27)38(29)23-9-7-22(8-10-23)31(33)13-3-14-31/h1-2,4-12,15,20H,3,13-14,16-19,33H2,(H2,32,34)
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n/an/a 1.79n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108440
PNG
(US8609688, 18)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(c1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C31H31N7O2S/c32-28-25(6-2-15-34-28)29-36-27-12-11-26(21-4-1-5-24(20-21)37-16-18-41(39,40)19-17-37)35-30(27)38(29)23-9-7-22(8-10-23)31(33)13-3-14-31/h1-2,4-12,15,20H,3,13-14,16-19,33H2,(H2,32,34)
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n/an/a 1.79n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108436
PNG
(US8609688, 14)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(c1)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C35H36N8O/c36-31-28(6-2-17-38-31)32-40-30-14-13-29(39-33(30)43(32)26-11-9-25(10-12-26)35(37)15-3-16-35)24-4-1-5-27(22-24)41-18-20-42(21-19-41)34(44)23-7-8-23/h1-2,4-6,9-14,17,22-23H,3,7-8,15-16,18-21,37H2,(H2,36,38)
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n/an/a 1.84n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108436
PNG
(US8609688, 14)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(c1)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C35H36N8O/c36-31-28(6-2-17-38-31)32-40-30-14-13-29(39-33(30)43(32)26-11-9-25(10-12-26)35(37)15-3-16-35)24-4-1-5-27(22-24)41-18-20-42(21-19-41)34(44)23-7-8-23/h1-2,4-6,9-14,17,22-23H,3,7-8,15-16,18-21,37H2,(H2,36,38)
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ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130222
PNG
(US8815854, 11)
Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1cccc(c1)N1CCOCC1)C1CC1
Show InChI InChI=1S/C29H31N5O/c30-29(13-2-14-29)22-7-9-23(10-8-22)34-27(20-5-6-20)32-26-12-11-25(31-28(26)34)21-3-1-4-24(19-21)33-15-17-35-18-16-33/h1,3-4,7-12,19-20H,2,5-6,13-18,30H2
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ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108435
PNG
(US8609688, 13)
Show SMILES CCC(=O)N1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C34H36N8O/c1-2-30(43)41-20-18-40(19-21-41)26-7-3-6-23(22-26)28-13-14-29-33(38-28)42(32(39-29)27-8-4-17-37-31(27)35)25-11-9-24(10-12-25)34(36)15-5-16-34/h3-4,6-14,17,22H,2,5,15-16,18-21,36H2,1H3,(H2,35,37)
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n/an/a 2.15n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108435
PNG
(US8609688, 13)
Show SMILES CCC(=O)N1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C34H36N8O/c1-2-30(43)41-20-18-40(19-21-41)26-7-3-6-23(22-26)28-13-14-29-33(38-28)42(32(39-29)27-8-4-17-37-31(27)35)25-11-9-24(10-12-25)34(36)15-5-16-34/h3-4,6-14,17,22H,2,5,15-16,18-21,36H2,1H3,(H2,35,37)
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n/an/a 2.15n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108429
PNG
(US8609688, 7)
Show SMILES C[C@H](O)CNC(=O)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C31H31N7O2/c1-19(39)18-35-30(40)21-6-2-5-20(17-21)25-12-13-26-29(36-25)38(28(37-26)24-7-3-16-34-27(24)32)23-10-8-22(9-11-23)31(33)14-4-15-31/h2-3,5-13,16-17,19,39H,4,14-15,18,33H2,1H3,(H2,32,34)(H,35,40)/t19-/m0/s1
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n/an/a 2.45n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108429
PNG
(US8609688, 7)
Show SMILES C[C@H](O)CNC(=O)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C31H31N7O2/c1-19(39)18-35-30(40)21-6-2-5-20(17-21)25-12-13-26-29(36-25)38(28(37-26)24-7-3-16-34-27(24)32)23-10-8-22(9-11-23)31(33)14-4-15-31/h2-3,5-13,16-17,19,39H,4,14-15,18,33H2,1H3,(H2,32,34)(H,35,40)/t19-/m0/s1
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n/an/a 2.45n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108431
PNG
(US8609688, 9)
Show SMILES CN(C)C(=O)C1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C35H38N8O/c1-41(2)34(44)23-15-20-42(21-16-23)27-7-3-6-24(22-27)29-13-14-30-33(39-29)43(32(40-30)28-8-4-19-38-31(28)36)26-11-9-25(10-12-26)35(37)17-5-18-35/h3-4,6-14,19,22-23H,5,15-18,20-21,37H2,1-2H3,(H2,36,38)
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n/an/a 2.51n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108431
PNG
(US8609688, 9)
Show SMILES CN(C)C(=O)C1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C35H38N8O/c1-41(2)34(44)23-15-20-42(21-16-23)27-7-3-6-24(22-27)29-13-14-30-33(39-29)43(32(40-30)28-8-4-19-38-31(28)36)26-11-9-25(10-12-26)35(37)17-5-18-35/h3-4,6-14,19,22-23H,5,15-18,20-21,37H2,1-2H3,(H2,36,38)
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n/an/a 2.51n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108425
PNG
(US8609688, 3)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C31H29N7O/c32-27-24(6-2-17-34-27)28-37-26-14-13-25(20-4-1-5-22(18-20)35-30(39)19-7-8-19)36-29(26)38(28)23-11-9-21(10-12-23)31(33)15-3-16-31/h1-2,4-6,9-14,17-19H,3,7-8,15-16,33H2,(H2,32,34)(H,35,39)
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n/an/a 3.09n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108425
PNG
(US8609688, 3)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C31H29N7O/c32-27-24(6-2-17-34-27)28-37-26-14-13-25(20-4-1-5-22(18-20)35-30(39)19-7-8-19)36-29(26)38(28)23-11-9-21(10-12-23)31(33)15-3-16-31/h1-2,4-6,9-14,17-19H,3,7-8,15-16,33H2,(H2,32,34)(H,35,39)
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n/an/a 3.09n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108433
PNG
(US8609688, 11)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(c1)N1CCC(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C37H40N8O2/c38-33-30(6-2-17-40-33)34-42-32-12-11-31(41-35(32)45(34)28-9-7-27(8-10-28)37(39)15-3-16-37)26-4-1-5-29(24-26)43-18-13-25(14-19-43)36(46)44-20-22-47-23-21-44/h1-2,4-12,17,24-25H,3,13-16,18-23,39H2,(H2,38,40)
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n/an/a 3.36n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108433
PNG
(US8609688, 11)
Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(c1)N1CCC(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C37H40N8O2/c38-33-30(6-2-17-40-33)34-42-32-12-11-31(41-35(32)45(34)28-9-7-27(8-10-28)37(39)15-3-16-37)26-4-1-5-29(24-26)43-18-13-25(14-19-43)36(46)44-20-22-47-23-21-44/h1-2,4-12,17,24-25H,3,13-16,18-23,39H2,(H2,38,40)
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n/an/a 3.36n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108438
PNG
(US8609688, 16)
Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C36H40N8O/c1-35(2,3)34(45)43-21-19-42(20-22-43)27-8-4-7-24(23-27)29-14-15-30-33(40-29)44(32(41-30)28-9-5-18-39-31(28)37)26-12-10-25(11-13-26)36(38)16-6-17-36/h4-5,7-15,18,23H,6,16-17,19-22,38H2,1-3H3,(H2,37,39)
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n/an/a 3.42n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108438
PNG
(US8609688, 16)
Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C36H40N8O/c1-35(2,3)34(45)43-21-19-42(20-22-43)27-8-4-7-24(23-27)29-14-15-30-33(40-29)44(32(41-30)28-9-5-18-39-31(28)37)26-12-10-25(11-13-26)36(38)16-6-17-36/h4-5,7-15,18,23H,6,16-17,19-22,38H2,1-3H3,(H2,37,39)
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n/an/a 3.42n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130221
PNG
(US8815854, 9)
Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1cccc(c1)N1CCOCC1)C1CCCCC1
Show InChI InChI=1S/C32H37N5O/c33-32(16-5-17-32)25-10-12-26(13-11-25)37-30(23-6-2-1-3-7-23)35-29-15-14-28(34-31(29)37)24-8-4-9-27(22-24)36-18-20-38-21-19-36/h4,8-15,22-23H,1-3,5-7,16-21,33H2
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n/an/a 3.47n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108441
PNG
(US8609688, 19)
Show SMILES Nc1ncccc1-c1nc2ccc(Nc3ccccc3)nc2n1-c1ccc(cc1)C1(N)CCC1
Show InChI InChI=1S/C27H25N7/c28-24-21(8-4-17-30-24)25-32-22-13-14-23(31-19-6-2-1-3-7-19)33-26(22)34(25)20-11-9-18(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)(H,31,33)
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n/an/a 3.77n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108441
PNG
(US8609688, 19)
Show SMILES Nc1ncccc1-c1nc2ccc(Nc3ccccc3)nc2n1-c1ccc(cc1)C1(N)CCC1
Show InChI InChI=1S/C27H25N7/c28-24-21(8-4-17-30-24)25-32-22-13-14-23(31-19-6-2-1-3-7-19)33-26(22)34(25)20-11-9-18(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)(H,31,33)
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n/an/a 3.77n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130249
PNG
(US8815854, 47)
Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(Nc3ccccc3)nc12)-c1ccccc1
Show InChI InChI=1S/C28H25N5/c29-28(18-7-19-28)21-12-14-23(15-13-21)33-26(20-8-3-1-4-9-20)31-24-16-17-25(32-27(24)33)30-22-10-5-2-6-11-22/h1-6,8-17H,7,18-19,29H2,(H,30,32)
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n/an/a 4.13n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108432
PNG
(US8609688, 10)
Show SMILES CCN(CC)C(=O)C1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C37H42N8O/c1-3-43(4-2)36(46)25-17-22-44(23-18-25)29-9-5-8-26(24-29)31-15-16-32-35(41-31)45(34(42-32)30-10-6-21-40-33(30)38)28-13-11-27(12-14-28)37(39)19-7-20-37/h5-6,8-16,21,24-25H,3-4,7,17-20,22-23,39H2,1-2H3,(H2,38,40)
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n/an/a 4.15n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108432
PNG
(US8609688, 10)
Show SMILES CCN(CC)C(=O)C1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C37H42N8O/c1-3-43(4-2)36(46)25-17-22-44(23-18-25)29-9-5-8-26(24-29)31-15-16-32-35(41-31)45(34(42-32)30-10-6-21-40-33(30)38)28-13-11-27(12-14-28)37(39)19-7-20-37/h5-6,8-16,21,24-25H,3-4,7,17-20,22-23,39H2,1-2H3,(H2,38,40)
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n/an/a 4.15n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130241
PNG
(US8815854, 42)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1ccc2nc(-c3ccccc3)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C31H29N5O/c1-35(2)30(37)23-11-6-10-22(20-23)26-16-17-27-29(33-26)36(28(34-27)21-8-4-3-5-9-21)25-14-12-24(13-15-25)31(32)18-7-19-31/h3-6,8-17,20H,7,18-19,32H2,1-2H3
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n/an/a 4.27n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130226
PNG
(US8815854, 15)
Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C27H23N5/c28-27(15-5-16-27)21-9-11-22(12-10-21)32-25(20-8-4-17-29-18-20)31-24-14-13-23(30-26(24)32)19-6-2-1-3-7-19/h1-4,6-14,17-18H,5,15-16,28H2
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n/an/a 4.30n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108439
PNG
(US8609688, 17)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C33H35N7O/c1-21-19-39(20-22(2)41-21)26-7-3-6-23(18-26)28-13-14-29-32(37-28)40(31(38-29)27-8-4-17-36-30(27)34)25-11-9-24(10-12-25)33(35)15-5-16-33/h3-4,6-14,17-18,21-22H,5,15-16,19-20,35H2,1-2H3,(H2,34,36)/t21-,22+
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n/an/a 4.36n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108439
PNG
(US8609688, 17)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C33H35N7O/c1-21-19-39(20-22(2)41-21)26-7-3-6-23(18-26)28-13-14-29-32(37-28)40(31(38-29)27-8-4-17-36-30(27)34)25-11-9-24(10-12-25)33(35)15-5-16-33/h3-4,6-14,17-18,21-22H,5,15-16,19-20,35H2,1-2H3,(H2,34,36)/t21-,22+
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n/an/a 4.36n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130233
PNG
(US8815854, 26)
Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1cccc(c1)N1CCOCC1)-c1cccc(O)c1
Show InChI InChI=1S/C32H31N5O2/c33-32(14-3-15-32)24-8-10-25(11-9-24)37-30(23-5-2-7-27(38)21-23)35-29-13-12-28(34-31(29)37)22-4-1-6-26(20-22)36-16-18-39-19-17-36/h1-2,4-13,20-21,38H,3,14-19,33H2
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n/an/a 4.42n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108427
PNG
(US8609688, 5)
Show SMILES CC(=O)OC(C)(C)C(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C33H33N7O3/c1-20(41)43-32(2,3)31(42)37-23-8-4-7-21(19-23)26-14-15-27-30(38-26)40(29(39-27)25-9-5-18-36-28(25)34)24-12-10-22(11-13-24)33(35)16-6-17-33/h4-5,7-15,18-19H,6,16-17,35H2,1-3H3,(H2,34,36)(H,37,42)
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n/an/a 4.46n/an/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM108427
PNG
(US8609688, 5)
Show SMILES CC(=O)OC(C)(C)C(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C33H33N7O3/c1-20(41)43-32(2,3)31(42)37-23-8-4-7-21(19-23)26-14-15-27-30(38-26)40(29(39-27)25-9-5-18-36-28(25)34)24-12-10-22(11-13-24)33(35)16-6-17-33/h4-5,7-15,18-19H,6,16-17,35H2,1-3H3,(H2,34,36)(H,37,42)
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n/an/a 4.46n/an/an/an/a8.025



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130228
PNG
(US8815854, 17)
Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1ccccc1)-c1ccccc1O
Show InChI InChI=1S/C28H24N4O/c29-28(17-6-18-28)20-11-13-21(14-12-20)32-26(22-9-4-5-10-25(22)33)31-24-16-15-23(30-27(24)32)19-7-2-1-3-8-19/h1-5,7-16,33H,6,17-18,29H2
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n/an/a 4.74n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130234
PNG
(US8815854, 30)
Show SMILES COc1ccc(cc1)-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C33H33N5O2/c1-39-28-12-6-23(7-13-28)31-36-30-15-14-29(24-4-2-5-27(22-24)37-18-20-40-21-19-37)35-32(30)38(31)26-10-8-25(9-11-26)33(34)16-3-17-33/h2,4-15,22H,3,16-21,34H2,1H3
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n/an/a 4.78n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130239
PNG
(US8815854, 37)
Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1cccc(c1)N1CCOCC1)-c1ccnnc1
Show InChI InChI=1S/C30H29N7O/c31-30(12-2-13-30)23-5-7-24(8-6-23)37-28(22-11-14-32-33-20-22)35-27-10-9-26(34-29(27)37)21-3-1-4-25(19-21)36-15-17-38-18-16-36/h1,3-11,14,19-20H,2,12-13,15-18,31H2
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n/an/a 4.96n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130230
PNG
(US8815854, 19)
Show SMILES Nc1ccccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C28H25N5/c29-23-10-5-4-9-22(23)26-32-25-16-15-24(19-7-2-1-3-8-19)31-27(25)33(26)21-13-11-20(12-14-21)28(30)17-6-18-28/h1-5,7-16H,6,17-18,29-30H2
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n/an/a 5.67n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130238
PNG
(US8815854, 36)
Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1cccc(c1)N1CCOCC1)-c1ncccn1
Show InChI InChI=1S/C30H29N7O/c31-30(12-2-13-30)22-6-8-23(9-7-22)37-28-26(35-29(37)27-32-14-3-15-33-27)11-10-25(34-28)21-4-1-5-24(20-21)36-16-18-38-19-17-36/h1,3-11,14-15,20H,2,12-13,16-19,31H2
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n/an/a 5.71n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130224
PNG
(US8815854, 13)
Show SMILES Cn1cc(c(N)n1)-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C26H25N7/c1-32-16-20(23(27)31-32)24-30-22-13-12-21(17-6-3-2-4-7-17)29-25(22)33(24)19-10-8-18(9-11-19)26(28)14-5-15-26/h2-4,6-13,16H,5,14-15,28H2,1H3,(H2,27,31)
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n/an/a 5.78n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130236
PNG
(US8815854, 34)
Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1cccc(c1)N1CCOCC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C32H30ClN5O/c33-25-6-1-5-23(20-25)30-36-29-13-12-28(22-4-2-7-27(21-22)37-16-18-39-19-17-37)35-31(29)38(30)26-10-8-24(9-11-26)32(34)14-3-15-32/h1-2,4-13,20-21H,3,14-19,34H2
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n/an/a 5.90n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130237
PNG
(US8815854, 35)
Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1cccc(c1)N1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C32H30ClN5O/c33-25-9-5-22(6-10-25)30-36-29-14-13-28(23-3-1-4-27(21-23)37-17-19-39-20-18-37)35-31(29)38(30)26-11-7-24(8-12-26)32(34)15-2-16-32/h1,3-14,21H,2,15-20,34H2
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n/an/a 6.27n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130223
PNG
(US8815854, 12)
Show SMILES Nc1ncnc(Cl)c1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
Show InChI InChI=1S/C26H22ClN7/c27-22-21(23(28)31-15-30-22)25-33-20-12-11-19(16-5-2-1-3-6-16)32-24(20)34(25)18-9-7-17(8-10-18)26(29)13-4-14-26/h1-3,5-12,15H,4,13-14,29H2,(H2,28,30,31)
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n/an/a 7.17n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130229
PNG
(US8815854, 18)
Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1ccccc1)-c1cccnc1F
Show InChI InChI=1S/C27H22FN5/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2
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ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM130227
PNG
(US8815854, 16)
Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H24N4/c29-28(18-7-19-28)22-12-14-23(15-13-22)32-26(21-10-5-2-6-11-21)31-25-17-16-24(30-27(25)32)20-8-3-1-4-9-20/h1-6,8-17H,7,18-19,29H2
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n/an/a 7.75n/an/an/an/a8.0n/a



ArQule, Inc.

US Patent


Assay Description
AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...


US Patent US8815854 (2014)


BindingDB Entry DOI: 10.7270/Q2J67FMR
More data for this
Ligand-Target Pair
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