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Patent code US9630931

Compile Data Set for Download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323106
PNG
(US9630931, Example 4)
Show SMILES COc1cc(CCNC[C@H]2CNCCO2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C20H24ClN7O3/c1-30-18-6-13(2-3-23-10-15-11-24-4-5-31-15)16(21)7-17(18)27-20(29)28-19-12-25-14(8-22)9-26-19/h6-7,9,12,15,23-24H,2-5,10-11H2,1H3,(H2,26,27,28,29)/t15-/m0/s1
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323107
PNG
(US9630931, Example 5)
Show SMILES COc1cc(CCNC[C@H]2CCCNC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H26ClN7O2/c1-31-19-7-15(4-6-25-11-14-3-2-5-24-10-14)17(22)8-18(19)28-21(30)29-20-13-26-16(9-23)12-27-20/h7-8,12-14,24-25H,2-6,10-11H2,1H3,(H2,27,28,29,30)/t14-/m0/s1
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM316493
PNG
(US9630931, Example 2)
Show SMILES COc1cc(CCNCC2CNCCO2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C20H24ClN7O3/c1-30-18-6-13(2-3-23-10-15-11-24-4-5-31-15)16(21)7-17(18)27-20(29)28-19-12-25-14(8-22)9-26-19/h6-7,9,12,15,23-24H,2-5,10-11H2,1H3,(H2,26,27,28,29)
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM316492
PNG
(US9630931, Example 1)
Show SMILES COc1cc(CCNCC2CCNCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H26ClN7O2/c1-31-19-8-15(4-7-25-11-14-2-5-24-6-3-14)17(22)9-18(19)28-21(30)29-20-13-26-16(10-23)12-27-20/h8-9,12-14,24-25H,2-7,11H2,1H3,(H2,27,28,29,30)
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323143
PNG
(US9630931, Example 6)
Show SMILES COc1cc(CCNC[C@@H]2CCCNC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H26ClN7O2/c1-31-19-7-15(4-6-25-11-14-3-2-5-24-10-14)17(22)8-18(19)28-21(30)29-20-13-26-16(9-23)12-27-20/h7-8,12-14,24-25H,2-6,10-11H2,1H3,(H2,27,28,29,30)/t14-/m1/s1
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323098
PNG
(US9630931, Example 3)
Show SMILES COc1cc(CCNC[C@@H]2CNCCO2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C20H24ClN7O3/c1-30-18-6-13(2-3-23-10-15-11-24-4-5-31-15)16(21)7-17(18)27-20(29)28-19-12-25-14(8-22)9-26-19/h6-7,9,12,15,23-24H,2-5,10-11H2,1H3,(H2,26,27,28,29)/t15-/m1/s1
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323169
PNG
(US9630931, Example 27)
Show SMILES CC(C)Oc1cc(CCNCC(=O)N2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C23H28ClN7O4/c1-15(2)35-20-9-16(3-4-26-14-22(32)31-5-7-34-8-6-31)18(24)10-19(20)29-23(33)30-21-13-27-17(11-25)12-28-21/h9-10,12-13,15,26H,3-8,14H2,1-2H3,(H2,28,29,30,33)
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323150
PNG
(US9630931, Example 13)
Show SMILES COc1cc(CCN[C@H](C)C2CCN(CC2)S(C)(=O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C23H30ClN7O4S/c1-15(16-5-8-31(9-6-16)36(3,33)34)26-7-4-17-10-21(35-2)20(11-19(17)24)29-23(32)30-22-14-27-18(12-25)13-28-22/h10-11,13-16,26H,4-9H2,1-3H3,(H2,28,29,30,32)/t15-/m1/s1
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323148
PNG
(US9630931, Example 11)
Show SMILES COc1cc(CCN[C@@H](C)C2CCN(CC2)S(C)(=O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C23H30ClN7O4S/c1-15(16-5-8-31(9-6-16)36(3,33)34)26-7-4-17-10-21(35-2)20(11-19(17)24)29-23(32)30-22-14-27-18(12-25)13-28-22/h10-11,13-16,26H,4-9H2,1-3H3,(H2,28,29,30,32)/t15-/m0/s1
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323151
PNG
(US9630931, Example 14)
Show SMILES COc1cc(CCNC[C@H]2CN(CCO2)C(=O)C2CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C24H28ClN7O4/c1-35-21-8-16(4-5-27-12-18-14-32(6-7-36-18)23(33)15-2-3-15)19(25)9-20(21)30-24(34)31-22-13-28-17(10-26)11-29-22/h8-9,11,13,15,18,27H,2-7,12,14H2,1H3,(H2,29,30,31,34)/t18-/m0/s1
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323170
PNG
(US9630931, Example 28)
Show SMILES COc1cc(CCN[C@@H](C)C(=O)N2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H26ClN7O4/c1-14(21(31)30-5-7-34-8-6-30)25-4-3-15-9-19(33-2)18(10-17(15)23)28-22(32)29-20-13-26-16(11-24)12-27-20/h9-10,12-14,25H,3-8H2,1-2H3,(H2,27,28,29,32)/t14-/m0/s1
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323156
PNG
(US9630931, Example 18)
Show SMILES COc1cc(CCN[C@@H](C)CN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H28ClN7O3/c1-15(14-30-5-7-33-8-6-30)25-4-3-16-9-20(32-2)19(10-18(16)23)28-22(31)29-21-13-26-17(11-24)12-27-21/h9-10,12-13,15,25H,3-8,14H2,1-2H3,(H2,27,28,29,31)/t15-/m0/s1
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323168
PNG
(US9630931, Example 26)
Show SMILES COc1cc(CCNCC(=O)N2CCN(C)CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H27ClN8O3/c1-30-5-7-31(8-6-30)21(32)14-25-4-3-15-9-19(34-2)18(10-17(15)23)28-22(33)29-20-13-26-16(11-24)12-27-20/h9-10,12-13,25H,3-8,14H2,1-2H3,(H2,27,28,29,33)
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SENTINEL ONCOLOGY LIMITED

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Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323167
PNG
(US9630931, Example 25)
Show SMILES COc1cc(OCCNCCN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H26ClN7O4/c1-31-19-11-18(33-7-3-24-2-4-29-5-8-32-9-6-29)16(22)10-17(19)27-21(30)28-20-14-25-15(12-23)13-26-20/h10-11,13-14,24H,2-9H2,1H3,(H2,26,27,28,30)
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323147
PNG
(US9630931, Example 10)
Show SMILES COc1cc(CCN[C@@H](C)C2CCN(CC2)C(=O)C2CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C26H32ClN7O3/c1-16(17-6-9-34(10-7-17)25(35)18-3-4-18)29-8-5-19-11-23(37-2)22(12-21(19)27)32-26(36)33-24-15-30-20(13-28)14-31-24/h11-12,14-18,29H,3-10H2,1-2H3,(H2,31,32,33,36)/t16-/m0/s1
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323146
PNG
(US9630931, Example 9)
Show SMILES COc1cc(CCNCCN2CCN(C)CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H29ClN8O2/c1-30-7-9-31(10-8-30)6-5-25-4-3-16-11-20(33-2)19(12-18(16)23)28-22(32)29-21-15-26-17(13-24)14-27-21/h11-12,14-15,25H,3-10H2,1-2H3,(H2,27,28,29,32)
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323145
PNG
(US9630931, Example 8)
Show SMILES CC(C)Oc1cc(CCNCCN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C23H30ClN7O3/c1-16(2)34-21-11-17(3-4-26-5-6-31-7-9-33-10-8-31)19(24)12-20(21)29-23(32)30-22-15-27-18(13-25)14-28-22/h11-12,14-16,26H,3-10H2,1-2H3,(H2,28,29,30,32)
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323144
PNG
(US9630931, Example 7)
Show SMILES COc1cc(CCNCCN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H26ClN7O3/c1-31-19-10-15(2-3-24-4-5-29-6-8-32-9-7-29)17(22)11-18(19)27-21(30)28-20-14-25-16(12-23)13-26-20/h10-11,13-14,24H,2-9H2,1H3,(H2,26,27,28,30)
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SENTINEL ONCOLOGY LIMITED

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Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323166
PNG
(US9630931, Example 24)
Show SMILES COc1cc(CCN[C@H](C)CN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H28ClN7O3/c1-15(14-30-5-7-33-8-6-30)25-4-3-16-9-20(32-2)19(10-18(16)23)28-22(31)29-21-13-26-17(11-24)12-27-21/h9-10,12-13,15,25H,3-8,14H2,1-2H3,(H2,27,28,29,31)/t15-/m1/s1
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323159
PNG
(US9630931, Example 19)
Show SMILES COc1cc(CCNCC(=O)N2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H24ClN7O4/c1-32-18-8-14(2-3-24-13-20(30)29-4-6-33-7-5-29)16(22)9-17(18)27-21(31)28-19-12-25-15(10-23)11-26-19/h8-9,11-12,24H,2-7,13H2,1H3,(H2,26,27,28,31)
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SENTINEL ONCOLOGY LIMITED

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Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323171
PNG
(US9630931, Example 30)
Show SMILES CC(C)Oc1cc(CCN[C@@H](C)C(=O)N2CCOCC2)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C24H31N7O4/c1-16(2)35-21-12-18(6-7-26-17(3)23(32)31-8-10-34-11-9-31)4-5-20(21)29-24(33)30-22-15-27-19(13-25)14-28-22/h4-5,12,14-17,26H,6-11H2,1-3H3,(H2,28,29,30,33)/t17-/m0/s1
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SENTINEL ONCOLOGY LIMITED

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Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323161
PNG
(US9630931, Example 20)
Show SMILES CC(C)Oc1cc(CCNC(=O)[C@H]2CNCCO2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H26ClN7O4/c1-13(2)34-18-7-14(3-4-26-21(31)19-11-25-5-6-33-19)16(23)8-17(18)29-22(32)30-20-12-27-15(9-24)10-28-20/h7-8,10,12-13,19,25H,3-6,11H2,1-2H3,(H,26,31)(H2,28,29,30,32)/t19-/m1/s1
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SENTINEL ONCOLOGY LIMITED

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Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323163
PNG
(US9630931, Example 22)
Show SMILES CC(C)Oc1cc(CCNC(=O)CN2CCN(C)CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C24H31ClN8O3/c1-16(2)36-21-10-17(4-5-27-23(34)15-33-8-6-32(3)7-9-33)19(25)11-20(21)30-24(35)31-22-14-28-18(12-26)13-29-22/h10-11,13-14,16H,4-9,15H2,1-3H3,(H,27,34)(H2,29,30,31,35)
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323162
PNG
(US9630931, Example 21)
Show SMILES COc1cc(CCNC[C@H]2CN(CCO2)C(=O)C2CC2)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C24H29N7O4/c1-34-21-10-16(2-5-20(21)29-24(33)30-22-14-27-18(11-25)12-28-22)6-7-26-13-19-15-31(8-9-35-19)23(32)17-3-4-17/h2,5,10,12,14,17,19,26H,3-4,6-9,13,15H2,1H3,(H2,28,29,30,33)/t19-/m0/s1
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323155
PNG
(US9630931, Example 17)
Show SMILES COc1cc(CCNC(=O)CN2CCN(C)CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H27ClN8O3/c1-30-5-7-31(8-6-30)14-21(32)25-4-3-15-9-19(34-2)18(10-17(15)23)28-22(33)29-20-13-26-16(11-24)12-27-20/h9-10,12-13H,3-8,14H2,1-2H3,(H,25,32)(H2,27,28,29,33)
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323165
PNG
(US9630931, Example 23)
Show SMILES COc1cc(CCN[C@@H](C)CN2CCOCC2)ccc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H29N7O3/c1-16(15-29-7-9-32-10-8-29)24-6-5-17-3-4-19(20(11-17)31-2)27-22(30)28-21-14-25-18(12-23)13-26-21/h3-4,11,13-14,16,24H,5-10,15H2,1-2H3,(H2,26,27,28,30)/t16-/m0/s1
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323153
PNG
(US9630931, Example 15)
Show SMILES COc1cc(CCNC(=O)[C@H]2CNCCO2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C20H22ClN7O4/c1-31-16-6-12(2-3-24-19(29)17-10-23-4-5-32-17)14(21)7-15(16)27-20(30)28-18-11-25-13(8-22)9-26-18/h6-7,9,11,17,23H,2-5,10H2,1H3,(H,24,29)(H2,26,27,28,30)/t17-/m1/s1
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SENTINEL ONCOLOGY LIMITED

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Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323149
PNG
(US9630931, Example 12)
Show SMILES Clc1cc(NC(=O)Nc2cnc(cn2)C#N)ccc1CCNCC1CCCCC1
Show InChI InChI=1S/C21H25ClN6O/c22-19-10-17(27-21(29)28-20-14-25-18(11-23)13-26-20)7-6-16(19)8-9-24-12-15-4-2-1-3-5-15/h6-7,10,13-15,24H,1-5,8-9,12H2,(H2,26,27,28,29)
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM323154
PNG
(US9630931, Example 16)
Show SMILES COc1cc(CCNC(=O)CN2CCOCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H24ClN7O4/c1-32-18-8-14(2-3-24-20(30)13-29-4-6-33-7-5-29)16(22)9-17(18)27-21(31)28-19-12-25-15(10-23)11-26-19/h8-9,11-12H,2-7,13H2,1H3,(H,24,30)(H2,26,27,28,31)
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SENTINEL ONCOLOGY LIMITED

US Patent


Assay Description
Reaction Buffer:Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOReq...


US Patent US9630931 (2017)

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