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Compile Data Set for Download or QSAR

Found 16 hits from ACEA BIOSCIENCES 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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM139540
PNG
(US8889696, Staurosporine | US9051313, Staurosporin...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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US Patent
n/an/a 0.0192n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM294479
PNG
(N-(3-((2-((6-(4-methylpiperazin-1-yl)pyridin- 3-yl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cn1
Show InChI InChI=1S/C25H26N8O2/c1-3-22(34)28-17-5-4-6-19(15-17)35-24-20-9-10-26-23(20)30-25(31-24)29-18-7-8-21(27-16-18)33-13-11-32(2)12-14-33/h3-10,15-16H,1,11-14H2,2H3,(H,28,34)(H2,26,29,30,31)
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US Patent
n/an/a 0.0365n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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n/an/a 0.0366n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM294480
PNG
(N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1- yl)phe...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1F
Show InChI InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)
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n/an/a 0.0911n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM139540
PNG
(US8889696, Staurosporine | US9051313, Staurosporin...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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n/an/a 0.196n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM294479
PNG
(N-(3-((2-((6-(4-methylpiperazin-1-yl)pyridin- 3-yl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cn1
Show InChI InChI=1S/C25H26N8O2/c1-3-22(34)28-17-5-4-6-19(15-17)35-24-20-9-10-26-23(20)30-25(31-24)29-18-7-8-21(27-16-18)33-13-11-32(2)12-14-33/h3-10,15-16H,1,11-14H2,2H3,(H,28,34)(H2,26,29,30,31)
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n/an/a 0.362n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM139540
PNG
(US8889696, Staurosporine | US9051313, Staurosporin...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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n/an/a 0.365n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM294480
PNG
(N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1- yl)phe...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1F
Show InChI InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)
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n/an/a 0.399n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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n/an/a 0.579n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM139540
PNG
(US8889696, Staurosporine | US9051313, Staurosporin...)
Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1
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n/an/a 4.97n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM294480
PNG
(N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1- yl)phe...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1F
Show InChI InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)
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n/an/a 501n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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n/an/a 570n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM294479
PNG
(N-(3-((2-((6-(4-methylpiperazin-1-yl)pyridin- 3-yl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cn1
Show InChI InChI=1S/C25H26N8O2/c1-3-22(34)28-17-5-4-6-19(15-17)35-24-20-9-10-26-23(20)30-25(31-24)29-18-7-8-21(27-16-18)33-13-11-32(2)12-14-33/h3-10,15-16H,1,11-14H2,2H3,(H,28,34)(H2,26,29,30,31)
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n/an/a 2.06E+3n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50159347
PNG
(CHEMBL3787662 | US9586965, Cpd 1)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C26H27N7O2/c1-3-23(34)28-19-5-4-6-21(17-19)35-25-22-11-12-27-24(22)30-26(31-25)29-18-7-9-20(10-8-18)33-15-13-32(2)14-16-33/h3-12,17H,1,13-16H2,2H3,(H,28,34)(H2,27,29,30,31)
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n/an/a 3.22E+3n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM294480
PNG
(N-(3-((2-((3-fluoro-4-(4-methylpiperazin-1- yl)phe...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cc1F
Show InChI InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)
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n/an/a 3.27E+3n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM294479
PNG
(N-(3-((2-((6-(4-methylpiperazin-1-yl)pyridin- 3-yl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3cc[nH]c3n2)cn1
Show InChI InChI=1S/C25H26N8O2/c1-3-22(34)28-17-5-4-6-19(15-17)35-24-20-9-10-26-23(20)30-25(31-24)29-18-7-8-21(27-16-18)33-13-11-32(2)12-14-33/h3-10,15-16H,1,11-14H2,2H3,(H,28,34)(H2,26,29,30,31)
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n/an/a 1.40E+4n/an/an/an/a7.525



ACEA BIOSCIENCES INC.

US Patent


Assay Description
Briefly, specific kinase/substrate pairs along with required cofactors were prepared in reaction buffer. Compounds were delivered into the reaction, ...


US Patent US9586965 (2017)

More data for this
Ligand-Target Pair