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Patent code US9907800

Compile Data Set for Download or QSAR

Found 460 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 PLK4


(Homo sapiens (Human))
BDBM375433
PNG
(US9907800, Example A145)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)C#Cc3ccc(CN4CCN(C)CC4)cc3)c2c1
Show InChI InChI=1/C32H31N5O2/c1-36-13-15-37(16-14-36)20-22-5-3-21(4-6-22)7-11-28-25-10-8-23(17-30(25)35-34-28)27-19-32(27)26-18-24(39-2)9-12-29(26)33-31(32)38/h3-6,8-10,12,17-18,27H,13-16,19-20H2,1-2H3,(H,33,38)(H,34,35)/t27?,32-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375434
PNG
(US9907800, Example A146)
Show SMILES CCN(CC)Cc1c(F)cc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)cc1F
Show InChI InChI=1/C31H30F2N4O2/c1-4-37(5-2)17-22-25(32)12-18(13-26(22)33)6-10-27-21-9-7-19(14-29(21)36-35-27)24-16-31(24)23-15-20(39-3)8-11-28(23)34-30(31)38/h6-15,24H,4-5,16-17H2,1-3H3,(H,34,38)(H,35,36)/b10-6+/t24-,31-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044670
PNG
(CHEMBL3353359 | US9907800, Example A147)
Show SMILES CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1
Show InChI InChI=1/C31H31N5O/c1-35-14-16-36(17-15-35)20-22-8-6-21(7-9-22)10-13-27-24-12-11-23(18-29(24)34-33-27)26-19-31(26)25-4-2-3-5-28(25)32-30(31)37/h2-13,18,26H,14-17,19-20H2,1H3,(H,32,37)(H,33,34)/b13-10+/t26-,31-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375449
PNG
(US9907800, Example A159)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(CCN4CCOCC4)cc3)c2c1
Show InChI InChI=1/C30H30N4O3/c1-36-22-7-9-26-24(17-22)30(29(35)31-26)18-25(30)21-6-8-23-27(16-21)32-33-28(23)20-4-2-19(3-5-20)10-11-34-12-14-37-15-13-34/h2-9,16-17,25H,10-15,18H2,1H3,(H,31,35)(H,32,33)/t25-,30-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375454
PNG
(US9907800, Example A164)
Show SMILES CN(C)Cc1cccc(\C=C\c2n[nH]c3cc(ccc23)C2C[C@@]22C(=O)N(CC(N)=O)c3ccccc23)c1
Show InChI InChI=1/C30H29N5O2/c1-34(2)17-20-7-5-6-19(14-20)10-13-25-22-12-11-21(15-26(22)33-32-25)24-16-30(24)23-8-3-4-9-27(23)35(29(30)37)18-28(31)36/h3-15,24H,16-18H2,1-2H3,(H2,31,36)(H,32,33)/b13-10+/t24?,30-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375464
PNG
(US9907800, Example A173)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1n[nH]c2cc(ccc12)C1C[C@@]11C(=O)Nc2ccc(C)cc12
Show InChI InChI=1/C29H29N5O/c1-18-3-10-25-23(15-18)29(28(35)30-25)17-24(29)20-6-9-22-26(16-20)31-32-27(22)19-4-7-21(8-5-19)34-13-11-33(2)12-14-34/h3-10,15-16,24H,11-14,17H2,1-2H3,(H,30,35)(H,31,32)/t24?,29-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375469
PNG
(US9907800, Example A178)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5ccc(CCN6CCOCC6)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C32H32N4O3/c1-38-24-8-11-29-26(19-24)32(31(37)33-29)20-27(32)23-7-9-25-28(34-35-30(25)18-23)10-6-21-2-4-22(5-3-21)12-13-36-14-16-39-17-15-36/h2-11,18-19,27H,12-17,20H2,1H3,(H,33,37)(H,34,35)/b10-6+/t27?,32-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375470
PNG
(US9907800, Example A179)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5ccc(cc5)C(=O)N5CCN(C)CC5)n[nH]c4c3)c2c1
Show InChI InChI=1/C32H31N5O3/c1-36-13-15-37(16-14-36)30(38)21-6-3-20(4-7-21)5-11-27-24-10-8-22(17-29(24)35-34-27)26-19-32(26)25-18-23(40-2)9-12-28(25)33-31(32)39/h3-12,17-18,26H,13-16,19H2,1-2H3,(H,33,39)(H,34,35)/b11-5+/t26?,32-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375471
PNG
(US9907800, Example A180)
Show SMILES COCCN1C(=O)[C@@]2(CC2c2ccc3c(\C=C\c4ccc(CN(C)C)cc4)n[nH]c3c2)c2ccccc12
Show InChI InChI=1/C31H32N4O2/c1-34(2)20-22-10-8-21(9-11-22)12-15-27-24-14-13-23(18-28(24)33-32-27)26-19-31(26)25-6-4-5-7-29(25)35(30(31)36)16-17-37-3/h4-15,18,26H,16-17,19-20H2,1-3H3,(H,32,33)/b15-12+/t26?,31-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM375471
PNG
(US9907800, Example A180)
Show SMILES COCCN1C(=O)[C@@]2(CC2c2ccc3c(\C=C\c4ccc(CN(C)C)cc4)n[nH]c3c2)c2ccccc12
Show InChI InChI=1/C31H32N4O2/c1-34(2)20-22-10-8-21(9-11-22)12-15-27-24-14-13-23(18-28(24)33-32-27)26-19-31(26)25-6-4-5-7-29(25)35(30(31)36)16-17-37-3/h4-15,18,26H,16-17,19-20H2,1-3H3,(H,32,33)/b15-12+/t26?,31-/s2
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Assay Description
Aurora A inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375471
PNG
(US9907800, Example A180)
Show SMILES COCCN1C(=O)[C@@]2(CC2c2ccc3c(\C=C\c4ccc(CN(C)C)cc4)n[nH]c3c2)c2ccccc12
Show InChI InChI=1/C31H32N4O2/c1-34(2)20-22-10-8-21(9-11-22)12-15-27-24-14-13-23(18-28(24)33-32-27)26-19-31(26)25-6-4-5-7-29(25)35(30(31)36)16-17-37-3/h4-15,18,26H,16-17,19-20H2,1-3H3,(H,32,33)/b15-12+/t26?,31-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375472
PNG
(US9907800, Example A181)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5csc(CN(C)C)c5)n[nH]c4c3)c2c1
Show InChI InChI=1/C27H26N4O2S/c1-31(2)14-19-10-16(15-34-19)4-8-23-20-7-5-17(11-25(20)30-29-23)22-13-27(22)21-12-18(33-3)6-9-24(21)28-26(27)32/h4-12,15,22H,13-14H2,1-3H3,(H,28,32)(H,29,30)/b8-4+/t22?,27-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375479
PNG
(US9907800, Example A188)
Show SMILES CCN1CCN(CC1)c1ccc(\C=C\c2n[nH]c3cc(ccc23)C2C[C@@]22C(=O)Nc3ccc(OC)cc23)cc1
Show InChI InChI=1/C32H33N5O2/c1-3-36-14-16-37(17-15-36)23-8-4-21(5-9-23)6-12-28-25-11-7-22(18-30(25)35-34-28)27-20-32(27)26-19-24(39-2)10-13-29(26)33-31(32)38/h4-13,18-19,27H,3,14-17,20H2,1-2H3,(H,33,38)(H,34,35)/b12-6+/t27?,32-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375483
PNG
(US9907800, Example A192)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(cc3)N3CCN(CC3)C3CCCC3)c2c1
Show InChI InChI=1/C33H35N5O2/c1-40-25-11-13-29-27(19-25)33(32(39)34-29)20-28(33)22-8-12-26-30(18-22)35-36-31(26)21-6-9-24(10-7-21)38-16-14-37(15-17-38)23-4-2-3-5-23/h6-13,18-19,23,28H,2-5,14-17,20H2,1H3,(H,34,39)(H,35,36)/t28-,33-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044668
PNG
(CHEMBL3353357 | US9907800, Example A196)
Show SMILES Cc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C31H30N4O2/c1-20-2-10-28-25(16-20)31(30(36)32-28)18-26(31)23-8-9-24-27(33-34-29(24)17-23)11-7-21-3-5-22(6-4-21)19-35-12-14-37-15-13-35/h2-11,16-17,26H,12-15,18-19H2,1H3,(H,32,36)(H,33,34)/b11-7+/t26-,31-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375488
PNG
(US9907800, Example A197)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cccnc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C25H20N4O2/c1-31-17-6-9-22-19(12-17)25(24(30)27-22)13-20(25)16-5-7-18-21(28-29-23(18)11-16)8-4-15-3-2-10-26-14-15/h2-12,14,20H,13H2,1H3,(H,27,30)(H,28,29)/b8-4+/t20-,25-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375494
PNG
(US9907800, Example A203)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6[C@@H](C)CCC[C@H]6C)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C34H36N4O2/c1-21-5-4-6-22(2)38(21)20-24-9-7-23(8-10-24)11-15-30-27-14-12-25(17-32(27)37-36-30)29-19-34(29)28-18-26(40-3)13-16-31(28)35-33(34)39/h7-18,21-22,29H,4-6,19-20H2,1-3H3,(H,35,39)(H,36,37)/b15-11+/t21-,22+,29-,34-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375504
PNG
(US9907800, Example A213)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5ccc(nc5)N5CCOCC5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H27N5O3/c1-36-20-5-8-25-22(15-20)29(28(35)31-25)16-23(29)19-4-6-21-24(32-33-26(21)14-19)7-2-18-3-9-27(30-17-18)34-10-12-37-13-11-34/h2-9,14-15,17,23H,10-13,16H2,1H3,(H,31,35)(H,32,33)/b7-2+/t23?,29-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044651
PNG
(CHEMBL3353349 | US9907800, Example A214)
Show SMILES CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC(F)F)cc23)cc1
Show InChI InChI=1/C29H26F2N4O2/c1-35(2)16-18-5-3-17(4-6-18)7-11-24-21-10-8-19(13-26(21)34-33-24)23-15-29(23)22-14-20(37-28(30)31)9-12-25(22)32-27(29)36/h3-14,23,28H,15-16H2,1-2H3,(H,32,36)(H,33,34)/b11-7+/t23-,29-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM375506
PNG
(US9907800, Example A215)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5cc(F)c(CN(C)C)c(F)c5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H26F2N4O2/c1-35(2)15-20-23(30)10-16(11-24(20)31)4-8-25-19-7-5-17(12-27(19)34-33-25)22-14-29(22)21-13-18(37-3)6-9-26(21)32-28(29)36/h4-13,22H,14-15H2,1-3H3,(H,32,36)(H,33,34)/b8-4+/t22?,29-/s2
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Assay Description
Aurora A inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375507
PNG
(US9907800, Example A216)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5cc(F)c(CN(C)C)c(F)c5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H26F2N4O2/c1-35(2)15-20-23(30)10-16(11-24(20)31)4-8-25-19-7-5-17(12-27(19)34-33-25)22-14-29(22)21-13-18(37-3)6-9-26(21)32-28(29)36/h4-13,22H,14-15H2,1-3H3,(H,32,36)(H,33,34)/b8-4+/t22-,29-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375508
PNG
(US9907800, Example A217)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(\C=C\c5cc(F)c(CN6CCOCC6)c(F)c5)n[nH]c4c3)c2c1
Show InChI InChI=1/C31H28F2N4O3/c1-39-20-4-7-28-23(15-20)31(30(38)34-28)16-24(31)19-3-5-21-27(35-36-29(21)14-19)6-2-18-12-25(32)22(26(33)13-18)17-37-8-10-40-11-9-37/h2-7,12-15,24H,8-11,16-17H2,1H3,(H,34,38)(H,35,36)/b6-2+/t24?,31-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM375291
PNG
(US9907800, Example A16)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1
Show InChI InChI=1/C28H28N6O2/c1-33-9-11-34(12-10-33)25-8-4-18(16-29-25)26-20-6-3-17(13-24(20)31-32-26)22-15-28(22)21-14-19(36-2)5-7-23(21)30-27(28)35/h3-8,13-14,16,22H,9-12,15H2,1-2H3,(H,30,35)(H,31,32)/t22-,28-/s2
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Assay Description
The enzymatic activity of FLT3 was determined using the Z-Lyte assay kit from Invitrogen (Invitrogen cat #PV3191). The assay was performed using the ...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM375466
PNG
(US9907800, Example A175)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)N5CCN(C)CC5)n[nH]c4c3)c2c1
Show InChI InChI=1/C31H31N5O2/c1-35-13-15-36(16-14-35)22-7-3-20(4-8-22)5-11-27-24-10-6-21(17-29(24)34-33-27)26-19-31(26)25-18-23(38-2)9-12-28(25)32-30(31)37/h3-12,17-18,26H,13-16,19H2,1-2H3,(H,32,37)(H,33,34)/b11-5+/t26-,31-/s2
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Assay Description
The enzymatic activity of FLT3 was determined using the Z-Lyte assay kit from Invitrogen (Invitrogen cat #PV3191). The assay was performed using the ...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375290
PNG
(US9907800, Example A15)
Show SMILES COc1ccc2NC(=O)[C@]3(C[C@@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1
Show InChI InChI=1/C28H28N6O2/c1-33-9-11-34(12-10-33)25-8-4-18(16-29-25)26-20-6-3-17(13-24(20)31-32-26)22-15-28(22)21-14-19(36-2)5-7-23(21)30-27(28)35/h3-8,13-14,16,22H,9-12,15H2,1-2H3,(H,30,35)(H,31,32)/t22-,28-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375291
PNG
(US9907800, Example A16)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1
Show InChI InChI=1/C28H28N6O2/c1-33-9-11-34(12-10-33)25-8-4-18(16-29-25)26-20-6-3-17(13-24(20)31-32-26)22-15-28(22)21-14-19(36-2)5-7-23(21)30-27(28)35/h3-8,13-14,16,22H,9-12,15H2,1-2H3,(H,30,35)(H,31,32)/t22-,28-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375295
PNG
(US9907800, Example A20)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCOCC3)c2c1
Show InChI InChI=1/C27H25N5O3/c1-34-18-4-6-22-20(13-18)27(26(33)29-22)14-21(27)16-2-5-19-23(12-16)30-31-25(19)17-3-7-24(28-15-17)32-8-10-35-11-9-32/h2-7,12-13,15,21H,8-11,14H2,1H3,(H,29,33)(H,30,31)/t21?,27-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375297
PNG
(US9907800, Example A22)
Show SMILES O=C1Nc2ccccc2[C@]11CC1c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1
Show InChI InChI=1/C24H18N4O/c29-23-24(18-3-1-2-4-21(18)26-23)14-19(24)16-6-7-17-20(27-28-22(17)13-16)8-5-15-9-11-25-12-10-15/h1-13,19H,14H2,(H,26,29)(H,27,28)/b8-5+/t19?,24-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50044660
PNG
(CHEMBL3353342 | US9907800, Example A29)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3cccnc3)n[nH]c2c1
Show InChI InChI=1/C24H18N4O/c29-23-24(18-5-1-2-6-21(18)26-23)13-19(24)16-8-9-17-20(27-28-22(17)12-16)10-7-15-4-3-11-25-14-15/h1-12,14,19H,13H2,(H,26,29)(H,27,28)/b10-7+/t19-,24-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375311
PNG
(US9907800, Example A32)
Show SMILES COc1ccc2NC(=O)[C@]3(C[C@@H]3c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1
Show InChI InChI=1/C30H30N6O2/c1-35-11-13-36(14-12-35)28-10-4-19(18-31-28)3-8-25-22-7-5-20(15-27(22)34-33-25)24-17-30(24)23-16-21(38-2)6-9-26(23)32-29(30)37/h3-10,15-16,18,24H,11-14,17H2,1-2H3,(H,32,37)(H,33,34)/b8-3+/t24-,30-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044665
PNG
(CHEMBL3353341 | US9907800, Example A33)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1
Show InChI InChI=1/C30H30N6O2/c1-35-11-13-36(14-12-35)28-10-4-19(18-31-28)3-8-25-22-7-5-20(15-27(22)34-33-25)24-17-30(24)23-16-21(38-2)6-9-26(23)32-29(30)37/h3-10,15-16,18,24H,11-14,17H2,1-2H3,(H,32,37)(H,33,34)/b8-3+/t24-,30-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044656
PNG
(CHEMBL3353348 | US9907800, Example A35)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50044656
PNG
(CHEMBL3353348 | US9907800, Example A35)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044674
PNG
(CHEMBL3353355 | US9907800, Example A42)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C31H30N4O3/c1-37-23-8-11-28-25(17-23)31(30(36)32-28)18-26(31)22-7-9-24-27(33-34-29(24)16-22)10-6-20-2-4-21(5-3-20)19-35-12-14-38-15-13-35/h2-11,16-17,26H,12-15,18-19H2,1H3,(H,32,36)(H,33,34)/b10-6+/t26-,31-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375326
PNG
(US9907800, Example A46)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3cccc(CCO)c3)c2c1
Show InChI InChI=1/C26H23N3O3/c1-32-18-6-8-22-20(13-18)26(25(31)27-22)14-21(26)16-5-7-19-23(12-16)28-29-24(19)17-4-2-3-15(11-17)9-10-30/h2-8,11-13,21,30H,9-10,14H2,1H3,(H,27,31)(H,28,29)/t21?,26-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375327
PNG
(US9907800, Example A47)
Show SMILES COc1ccc2NC(=O)[C@@]3(CC3c3ccc4c(n[nH]c4c3)-c3cccc(c3)N3CCNCC3)c2c1
Show InChI InChI=1/C28H27N5O2/c1-35-20-6-8-24-22(15-20)28(27(34)30-24)16-23(28)17-5-7-21-25(14-17)31-32-26(21)18-3-2-4-19(13-18)33-11-9-29-10-12-33/h2-8,13-15,23,29H,9-12,16H2,1H3,(H,30,34)(H,31,32)/t23?,28-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375333
PNG
(US9907800, Example A53)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Show InChI InChI=1/C24H18N4O/c29-23-24(18-6-1-2-7-21(18)26-23)14-19(24)15-8-10-17-20(27-28-22(17)13-15)11-9-16-5-3-4-12-25-16/h1-13,19H,14H2,(H,26,29)(H,27,28)/b11-9+/t19-,24-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375333
PNG
(US9907800, Example A53)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Show InChI InChI=1/C24H18N4O/c29-23-24(18-6-1-2-7-21(18)26-23)14-19(24)15-8-10-17-20(27-28-22(17)13-15)11-9-16-5-3-4-12-25-16/h1-13,19H,14H2,(H,26,29)(H,27,28)/b11-9+/t19-,24-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50044675
PNG
(CHEMBL3353354 | US9907800, Example A56)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C30H28N4O2/c35-29-30(24-3-1-2-4-27(24)31-29)18-25(30)22-10-11-23-26(32-33-28(23)17-22)12-9-20-5-7-21(8-6-20)19-34-13-15-36-16-14-34/h1-12,17,25H,13-16,18-19H2,(H,31,35)(H,32,33)/b12-9+/t25-,30-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50044675
PNG
(CHEMBL3353354 | US9907800, Example A56)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C30H28N4O2/c35-29-30(24-3-1-2-4-27(24)31-29)18-25(30)22-10-11-23-26(32-33-28(23)17-22)12-9-20-5-7-21(8-6-20)19-34-13-15-36-16-14-34/h1-12,17,25H,13-16,18-19H2,(H,31,35)(H,32,33)/b12-9+/t25-,30-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50044662
PNG
(CHEMBL3353361 | US9907800, Example A61)
Show SMILES O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCCC4)cc3)n[nH]c2c1
Show InChI InChI=1/C30H28N4O/c35-29-30(24-5-1-2-6-27(24)31-29)18-25(30)22-12-13-23-26(32-33-28(23)17-22)14-11-20-7-9-21(10-8-20)19-34-15-3-4-16-34/h1-2,5-14,17,25H,3-4,15-16,18-19H2,(H,31,35)(H,32,33)/b14-11+/t25-,30-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375347
PNG
(US9907800, Example A67)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc(OCCN4CCCCC4)cc3)c2c1
Show InChI InChI=1/C31H32N4O3/c1-37-23-10-12-27-25(18-23)31(30(36)32-27)19-26(31)21-7-11-24-28(17-21)33-34-29(24)20-5-8-22(9-6-20)38-16-15-35-13-3-2-4-14-35/h5-12,17-18,26H,2-4,13-16,19H2,1H3,(H,32,36)(H,33,34)/t26-,31-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375352
PNG
(US9907800, Example A71)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(n[nH]c4c3)-c3ccc4CCNCc4c3)c2c1
Show InChI InChI=1/C27H24N4O2/c1-33-19-5-7-23-21(12-19)27(26(32)29-23)13-22(27)16-4-6-20-24(11-16)30-31-25(20)17-3-2-15-8-9-28-14-18(15)10-17/h2-7,10-12,22,28H,8-9,13-14H2,1H3,(H,29,32)(H,30,31)/t22-,27-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375354
PNG
(US9907800, Example A73)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCCOCC6)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C32H32N4O3/c1-38-24-9-12-29-26(18-24)32(31(37)33-29)19-27(32)23-8-10-25-28(34-35-30(25)17-23)11-7-21-3-5-22(6-4-21)20-36-13-2-15-39-16-14-36/h3-12,17-18,27H,2,13-16,19-20H2,1H3,(H,33,37)(H,34,35)/b11-7+/t27-,32-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375354
PNG
(US9907800, Example A73)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCCOCC6)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C32H32N4O3/c1-38-24-9-12-29-26(18-24)32(31(37)33-29)19-27(32)23-8-10-25-28(34-35-30(25)17-23)11-7-21-3-5-22(6-4-21)20-36-13-2-15-39-16-14-36/h3-12,17-18,27H,2,13-16,19-20H2,1H3,(H,33,37)(H,34,35)/b11-7+/t27-,32-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM375355
PNG
(US9907800, Example A74)
Show SMILES CN1CCc2cc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)ccc2C1
Show InChI InChI=1/C29H26N4O/c1-33-13-12-19-14-18(6-8-21(19)17-33)7-11-25-22-10-9-20(15-27(22)32-31-25)24-16-29(24)23-4-2-3-5-26(23)30-28(29)34/h2-11,14-15,24H,12-13,16-17H2,1H3,(H,30,34)(H,31,32)/b11-7+/t24-,29-/s2
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Assay Description
Aurora B inhibition was determined using the Z-Lyte assay kit from Invitrogen. The assay was performed using the recommended manufacturer's instr...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375357
PNG
(US9907800, Example A76)
Show SMILES CN1CCc2cc(ccc2C1)-c1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccccc12
Show InChI InChI=1/C27H24N4O/c1-31-11-10-16-12-18(6-7-19(16)15-31)25-20-9-8-17(13-24(20)29-30-25)22-14-27(22)21-4-2-3-5-23(21)28-26(27)32/h2-9,12-13,22H,10-11,14-15H2,1H3,(H,28,32)(H,29,30)/t22-,27-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375360
PNG
(US9907800, Example A79)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(OC6CCN(C)CC6)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C32H32N4O3/c1-36-15-13-23(14-16-36)39-22-7-3-20(4-8-22)5-11-28-25-10-6-21(17-30(25)35-34-28)27-19-32(27)26-18-24(38-2)9-12-29(26)33-31(32)37/h3-12,17-18,23,27H,13-16,19H2,1-2H3,(H,33,37)(H,34,35)/b11-5+/t27-,32-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375363
PNG
(US9907800, Example A82)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CC6CCN(C)CC6)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C33H34N4O2/c1-37-15-13-23(14-16-37)17-22-5-3-21(4-6-22)7-11-29-26-10-8-24(18-31(26)36-35-29)28-20-33(28)27-19-25(39-2)9-12-30(27)34-32(33)38/h3-12,18-19,23,28H,13-17,20H2,1-2H3,(H,34,38)(H,35,36)/b11-7+/t28-,33-/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM375365
PNG
(US9907800, Example A84)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1/C29H28N4O2/c1-33(2)17-19-6-4-18(5-7-19)8-12-25-22-11-9-20(14-27(22)32-31-25)24-16-29(24)23-15-21(35-3)10-13-26(23)30-28(29)34/h4-15,24H,16-17H2,1-3H3,(H,30,34)(H,31,32)/b12-8+/t24-,29+/s2
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Assay Description
PLK4 activity was measured using an indirect ELISA detection system. Dephosphorylated GST-PLK4 (4 nM) was incubated in the presence of 15 μM ATP...


US Patent US9907800 (2018)

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