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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 7277   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM50388878
PNG
(CHEMBL1999931 | US9163007, 73)
Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)c1ccccc1
Show InChI InChI=1S/C23H18N6O/c30-23(17-9-5-2-6-10-17)24-22-19-13-18(11-12-20(19)25-27-22)21-15-29(28-26-21)14-16-7-3-1-4-8-16/h1-13,15H,14H2,(H2,24,25,27,30)
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0.400n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185858
PNG
(US9163007, 198)
Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H22N6O/c36-29(22-14-8-3-9-15-22)30-28-24-18-23(16-17-25(24)31-33-28)26-27(21-12-6-2-7-13-21)35(34-32-26)19-20-10-4-1-5-11-20/h1-18H,19H2,(H2,30,31,33,36)
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0.800n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185863
PNG
(US9163007, 205)
Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1
Show InChI InChI=1S/C26H21FN6O/c27-20-8-4-7-19(13-20)26(34)28-25-21-14-18(11-12-22(21)29-31-25)23-24(17-9-10-17)33(32-30-23)15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H2,28,29,31,34)
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0.900n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185888
PNG
(US9163007, 395)
Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C23H17FN6O/c24-18-8-4-7-17(11-18)23(31)25-22-19-12-16(9-10-20(19)26-28-22)21-14-30(29-27-21)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,25,26,28,31)
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1n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185841
PNG
(US9163007, 102)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C22H18N6/c23-22-18-13-17(11-12-19(18)24-26-22)20-21(16-9-5-2-6-10-16)28(27-25-20)14-15-7-3-1-4-8-15/h1-13H,14H2,(H3,23,24,26)
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1.20n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185846
PNG
(US9163007, 151)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H17FN6/c23-17-9-6-15(7-10-17)21-20(16-8-11-19-18(12-16)22(24)27-25-19)26-28-29(21)13-14-4-2-1-3-5-14/h1-12H,13H2,(H3,24,25,27)
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2.20n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185861
PNG
(US9163007, 201)
Show SMILES CCCC(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C26H24N6O/c1-2-9-23(33)27-26-21-16-20(14-15-22(21)28-30-26)24-25(19-12-7-4-8-13-19)32(31-29-24)17-18-10-5-3-6-11-18/h3-8,10-16H,2,9,17H2,1H3,(H2,27,28,30,33)
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13n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185842
PNG
(US9163007, 123)
Show SMILES Cc1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1
Show InChI InChI=1S/C17H16N6/c1-11-16(13-7-8-15-14(9-13)17(18)21-19-15)20-22-23(11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H3,18,19,21)
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17n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185852
PNG
(US9163007, 171)
Show SMILES Cc1ccccc1-c1c(nnn1CC1CCOCC1)-c1ccc2[nH]nc(N)c2c1 |(11.93,-1.26,;10.78,-.23,;11.1,1.27,;9.96,2.3,;8.49,1.83,;8.17,.32,;9.32,-.71,;9,-2.22,;7.59,-2.84,;7.75,-4.37,;9.26,-4.69,;10.03,-3.36,;11.56,-3.2,;12.47,-4.45,;11.84,-5.85,;12.74,-7.1,;14.28,-6.94,;14.9,-5.53,;14,-4.28,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;3.59,-2.07,;4.92,-2.84,)|
Show InChI InChI=1S/C22H24N6O/c1-14-4-2-3-5-17(14)21-20(16-6-7-19-18(12-16)22(23)26-24-19)25-27-28(21)13-15-8-10-29-11-9-15/h2-7,12,15H,8-11,13H2,1H3,(H3,23,24,26)
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30n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185843
PNG
(US9163007, 125)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1I
Show InChI InChI=1S/C16H13IN6/c17-15-14(11-6-7-13-12(8-11)16(18)21-19-13)20-22-23(15)9-10-4-2-1-3-5-10/h1-8H,9H2,(H3,18,19,21)
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35n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185864
PNG
(US9163007, 207)
Show SMILES C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1)c1ccccc1
Show InChI InChI=1S/C26H24N6/c1-3-7-18(8-4-1)16-27-26-22-15-21(13-14-23(22)28-30-26)24-25(20-11-12-20)32(31-29-24)17-19-9-5-2-6-10-19/h1-10,13-15,20H,11-12,16-17H2,(H2,27,28,30)
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46n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185837
PNG
(US9163007, 66)
Show SMILES CCCC(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C20H20N6O/c1-2-6-19(27)21-20-16-11-15(9-10-17(16)22-24-20)18-13-26(25-23-18)12-14-7-4-3-5-8-14/h3-5,7-11,13H,2,6,12H2,1H3,(H2,21,22,24,27)
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58n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185838
PNG
(US9163007, 80)
Show SMILES C(C1CCOCC1)n1cc(nn1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H17N5O/c1-2-14-13(8-16-17-14)7-12(1)15-10-20(19-18-15)9-11-3-5-21-6-4-11/h1-2,7-8,10-11H,3-6,9H2,(H,16,17)
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127n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185844
PNG
(US9163007, 146)
Show SMILES Clc1cccc(c1)C(=O)c1c(nnn1CC1CCOCC1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H20ClN5O2/c23-18-3-1-2-16(11-18)22(29)21-20(15-4-5-19-17(10-15)12-24-25-19)26-27-28(21)13-14-6-8-30-9-7-14/h1-5,10-12,14H,6-9,13H2,(H,24,25)
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229n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185836
PNG
(US9163007, 65)
Show SMILES CN(C)CC(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C20H21N7O/c1-26(2)13-19(28)21-20-16-10-15(8-9-17(16)22-24-20)18-12-27(25-23-18)11-14-6-4-3-5-7-14/h3-10,12H,11,13H2,1-2H3,(H2,21,22,24,28)
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242n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185872
PNG
(US9163007, 241)
Show SMILES CC(C)N(C)C(=O)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C21H22N6O/c1-14(2)26(3)21(28)20-19(16-9-10-18-17(11-16)12-22-23-18)24-25-27(20)13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,22,23)
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473n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185847
PNG
(US9163007, 157)
Show SMILES CN(C)C(=O)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H18N6O/c1-24(2)19(26)18-17(14-8-9-16-15(10-14)11-20-21-16)22-23-25(18)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,21)
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640n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185831
PNG
(US9163007, 35)
Show SMILES FC(F)(F)c1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H11F6N5/c19-17(20,21)13-3-1-11(14(6-13)18(22,23)24)8-29-9-16(27-28-29)10-2-4-15-12(5-10)7-25-26-15/h1-7,9H,8H2,(H,25,26)
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>1.23E+3n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185876
PNG
(US9163007, 255)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H23N7O2/c1-16(31)28-9-11-29(12-10-28)23(32)22-21(18-7-8-20-19(13-18)14-24-25-20)26-27-30(22)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,24,25)
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>1.23E+3n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185875
PNG
(US9163007, 254)
Show SMILES O=C(NCCN1CCOCC1)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25N7O2/c31-23(24-8-9-29-10-12-32-13-11-29)22-21(18-6-7-20-19(14-18)15-25-26-20)27-28-30(22)16-17-4-2-1-3-5-17/h1-7,14-15H,8-13,16H2,(H,24,31)(H,25,26)
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>1.23E+3n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185874
PNG
(US9163007, 243)
Show SMILES O=C(Nc1ccccc1)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H18N6O/c30-23(25-19-9-5-2-6-10-19)22-21(17-11-12-20-18(13-17)14-24-26-20)27-28-29(22)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,24,26)(H,25,30)
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>1.23E+3n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185873
PNG
(US9163007, 242)
Show SMILES COCCN(C)C(=O)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C21H22N6O2/c1-26(10-11-29-2)21(28)20-19(16-8-9-18-17(12-16)13-22-23-18)24-25-27(20)14-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,23)
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>1.23E+3n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185857
PNG
(US9163007, 197)
Show SMILES NC1CCN(CC1)C(=O)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H23N7O/c23-18-8-10-28(11-9-18)22(30)21-20(16-6-7-19-17(12-16)13-24-25-19)26-27-29(21)14-15-4-2-1-3-5-15/h1-7,12-13,18H,8-11,14,23H2,(H,24,25)
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1.23E+3n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185834
PNG
(US9163007, 63)
Show SMILES CN1CCC(CC1)C(=O)n1nc(N)c2cc(ccc12)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C23H25N7O/c1-28-11-9-17(10-12-28)23(31)30-21-8-7-18(13-19(21)22(24)26-30)20-15-29(27-25-20)14-16-5-3-2-4-6-16/h2-8,13,15,17H,9-12,14H2,1H3,(H2,24,26)
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>1.23E+3n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185851
PNG
(US9163007, 169)
Show SMILES O=C(N1CCCCC1)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H22N6O/c29-22(27-11-5-2-6-12-27)21-20(17-9-10-19-18(13-17)14-23-24-19)25-26-28(21)15-16-7-3-1-4-8-16/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2,(H,23,24)
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>1.23E+3n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM185853
PNG
(US9163007, 172)
Show SMILES O=C(N1CCOCC1)c1c(nnn1Cc1ccccc1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C21H20N6O2/c28-21(26-8-10-29-11-9-26)20-19(16-6-7-18-17(12-16)13-22-23-18)24-25-27(20)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,22,23)
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>1.23E+3n/an/an/an/an/an/a7.5n/a



AbbVie Inc.

US Patent


Assay Description
6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...


US Patent US9163007 (2015)


BindingDB Entry DOI: 10.7270/Q2KW5DTG
More data for this
Ligand-Target Pair