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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'onozaki' and Initial = 'y'   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM9048
PNG
(US8536193, 10-5)
Show SMILES N[C@]1(C[C@](O)(C1)C1CC1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1 |r,wU:3.6,1.0,wD:3.3,(13.13,-7.57,;11.8,-6.8,;10.71,-5.71,;11.8,-4.62,;12.57,-3.29,;12.89,-5.71,;11.03,-3.29,;9.69,-2.52,;11.03,-1.75,;10.46,-7.57,;10.46,-9.11,;9.13,-9.88,;7.8,-9.11,;7.8,-7.57,;9.13,-6.8,;6.46,-9.88,;5.13,-9.11,;3.8,-9.88,;2.46,-9.11,;1.13,-9.88,;1.13,-11.42,;-.02,-12.45,;.61,-13.86,;2.14,-13.7,;3.23,-14.79,;2.83,-16.27,;4.72,-14.39,;2.46,-12.19,;3.8,-11.42,;5.13,-12.19,;6.46,-11.42,;7.8,-12.19,;7.8,-13.73,;9.13,-14.5,;10.46,-13.73,;10.46,-12.19,;9.13,-11.42,)|
Show InChI InChI=1S/C29H25F2N5O/c30-26(31)27-35-34-24-13-12-22-23(36(24)27)14-21(17-4-2-1-3-5-17)25(33-22)18-6-8-19(9-7-18)28(32)15-29(37,16-28)20-10-11-20/h1-9,12-14,20,26,37H,10-11,15-16,32H2/t28-,29-
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n/an/a 0.340n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM102310
PNG
(US8536193, 10-4)
Show SMILES C[C@@]1(O)C[C@@](N)(C1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1 |r,wU:1.0,4.4,wD:1.1,(11.03,-3.29,;11.8,-4.62,;12.57,-3.29,;12.89,-5.71,;11.8,-6.8,;13.13,-7.57,;10.71,-5.71,;10.46,-7.57,;10.46,-9.11,;9.13,-9.88,;7.8,-9.11,;7.8,-7.57,;9.13,-6.8,;6.46,-9.88,;5.13,-9.11,;3.8,-9.88,;2.46,-9.11,;1.13,-9.88,;1.13,-11.42,;-.02,-12.45,;.61,-13.86,;2.14,-13.7,;3.23,-14.79,;2.83,-16.27,;4.72,-14.39,;2.46,-12.19,;3.8,-11.42,;5.13,-12.19,;6.46,-11.42,;7.8,-12.19,;7.8,-13.73,;9.13,-14.5,;10.46,-13.73,;10.46,-12.19,;9.13,-11.42,)|
Show InChI InChI=1S/C27H23F2N5O/c1-26(35)14-27(30,15-26)18-9-7-17(8-10-18)23-19(16-5-3-2-4-6-16)13-21-20(31-23)11-12-22-32-33-25(24(28)29)34(21)22/h2-13,24,35H,14-15,30H2,1H3/t26-,27-
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n/an/a 0.380n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM8727
PNG
(US8536193, 7-26)
Show SMILES N[C@]1(C[C@](O)(C1)C1CC1)c1ccc(cc1)-c1nc2ccc3nnc(C4NCNN4)n3c2cc1-c1ccccc1 |r,wU:3.3,wD:3.6,1.0,(13.13,-7.57,;11.8,-6.8,;12.89,-5.71,;11.8,-4.62,;11.03,-3.29,;10.71,-5.71,;12.57,-3.29,;13.9,-2.52,;12.57,-1.75,;10.46,-7.57,;10.46,-9.11,;9.13,-9.88,;7.8,-9.11,;7.8,-7.57,;9.13,-6.8,;6.46,-9.88,;5.13,-9.11,;3.8,-9.88,;2.46,-9.11,;1.13,-9.88,;1.13,-11.42,;-.02,-12.45,;.61,-13.86,;2.14,-13.7,;3.23,-14.79,;4.76,-14.63,;5.39,-16.03,;4.24,-17.06,;2.91,-16.29,;2.46,-12.19,;3.8,-11.42,;5.13,-12.19,;6.46,-11.42,;7.8,-12.19,;7.8,-13.73,;9.13,-14.5,;10.46,-13.73,;10.46,-12.19,;9.13,-11.42,)|
Show InChI InChI=1S/C30H30N8O/c31-29(15-30(39,16-29)21-10-11-21)20-8-6-19(7-9-20)26-22(18-4-2-1-3-5-18)14-24-23(34-26)12-13-25-35-37-28(38(24)25)27-32-17-33-36-27/h1-9,12-14,21,27,32-33,36,39H,10-11,15-17,31H2/t27?,29-,30-
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n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM102310
PNG
(US8536193, 10-4)
Show SMILES C[C@@]1(O)C[C@@](N)(C1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1 |r,wU:1.0,4.4,wD:1.1,(11.03,-3.29,;11.8,-4.62,;12.57,-3.29,;12.89,-5.71,;11.8,-6.8,;13.13,-7.57,;10.71,-5.71,;10.46,-7.57,;10.46,-9.11,;9.13,-9.88,;7.8,-9.11,;7.8,-7.57,;9.13,-6.8,;6.46,-9.88,;5.13,-9.11,;3.8,-9.88,;2.46,-9.11,;1.13,-9.88,;1.13,-11.42,;-.02,-12.45,;.61,-13.86,;2.14,-13.7,;3.23,-14.79,;2.83,-16.27,;4.72,-14.39,;2.46,-12.19,;3.8,-11.42,;5.13,-12.19,;6.46,-11.42,;7.8,-12.19,;7.8,-13.73,;9.13,-14.5,;10.46,-13.73,;10.46,-12.19,;9.13,-11.42,)|
Show InChI InChI=1S/C27H23F2N5O/c1-26(35)14-27(30,15-26)18-9-7-17(8-10-18)23-19(16-5-3-2-4-6-16)13-21-20(31-23)11-12-22-32-33-25(24(28)29)34(21)22/h2-13,24,35H,14-15,30H2,1H3/t26-,27-
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n/an/a 1.70n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM102311
PNG
(US8536193, 2-1)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccc(=N)n(C(=N)c3ccccc3)c2cc1-c1ccccc1
Show InChI InChI=1S/C31H27N5/c32-28-17-16-26-27(36(28)30(33)23-10-5-2-6-11-23)20-25(21-8-3-1-4-9-21)29(35-26)22-12-14-24(15-13-22)31(34)18-7-19-31/h1-6,8-17,20,32-33H,7,18-19,34H2
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n/an/a 2.30n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297965
PNG
((R)-3-(1-(2-chloro-4-(hydroxymethyl)phenyl)ethoxy)...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CO)cc1Cl |r|
Show InChI InChI=1S/C21H18ClN3O3S/c1-12(14-6-5-13(11-26)8-15(14)22)28-17-9-18(29-20(17)21(23)27)16-10-24-19-4-2-3-7-25(16)19/h2-10,12,26H,11H2,1H3,(H2,23,27)/t12-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM102307
PNG
(US8536193, 3-1)
Show SMILES NC(=N)n1c2cc(-c3ccccc3)c(nc2ccc1=N)-c1ccc(cc1)C1(N)CCC1
Show InChI InChI=1S/C25H24N6/c26-22-12-11-20-21(31(22)24(27)28)15-19(16-5-2-1-3-6-16)23(30-20)17-7-9-18(10-8-17)25(29)13-4-14-25/h1-3,5-12,15,26H,4,13-14,29H2,(H3,27,28)
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n/an/a 6.10n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297962
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(imidazo[1,2-a]...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H16ClN3O2S/c1-12(13-6-2-3-7-14(13)21)26-16-10-17(27-19(16)20(22)25)15-11-23-18-8-4-5-9-24(15)18/h2-12H,1H3,(H2,22,25)/t12-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297966
PNG
((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(6-(hydroxymeth...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccc(CO)cn12)c1ccccc1Cl |r|
Show InChI InChI=1S/C21H18ClN3O3S/c1-12(14-4-2-3-5-15(14)22)28-17-8-18(29-20(17)21(23)27)16-9-24-19-7-6-13(11-26)10-25(16)19/h2-10,12,26H,11H2,1H3,(H2,23,27)/t12-/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM102308
PNG
(US8536193, 4-1)
Show SMILES CC(=N)n1c2cc(-c3ccccc3)c(nc2ccc1=N)-c1ccc(cc1)C1(N)CCC1
Show InChI InChI=1S/C26H25N5/c1-17(27)31-23-16-21(18-6-3-2-4-7-18)25(30-22(23)12-13-24(31)28)19-8-10-20(11-9-19)26(29)14-5-15-26/h2-4,6-13,16,27-28H,5,14-15,29H2,1H3
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n/an/a 8.20n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297985
PNG
((R)-3-(1-(4-((tert-butylamino)methyl)-2-(difluorom...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1OC(F)F |r|
Show InChI InChI=1S/C26H28F2N4O3S/c1-15(17-9-8-16(13-31-26(2,3)4)11-19(17)35-25(27)28)34-20-12-21(36-23(20)24(29)33)18-14-30-22-7-5-6-10-32(18)22/h5-12,14-15,25,31H,13H2,1-4H3,(H2,29,33)/t15-/m1/s1
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n/an/a 9.80n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM102309
PNG
(US8536193, 5-12)
Show SMILES NC1(CC(F)(F)C1)c1ccc(cc1)-c1nc2ccc(=N)n(C(=N)c3ccccc3)c2cc1-c1ccccc1
Show InChI InChI=1S/C31H25F2N5/c32-31(33)18-30(36,19-31)23-13-11-21(12-14-23)28-24(20-7-3-1-4-8-20)17-26-25(37-28)15-16-27(34)38(26)29(35)22-9-5-2-6-10-22/h1-17,34-35H,18-19,36H2
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n/an/a 10n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297971
PNG
((R)-3-(1-(2-chloro-4-((cyclopropylamino)methyl)phe...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC2CC2)cc1Cl |r|
Show InChI InChI=1S/C24H23ClN4O2S/c1-14(17-8-5-15(10-18(17)25)12-27-16-6-7-16)31-20-11-21(32-23(20)24(26)30)19-13-28-22-4-2-3-9-29(19)22/h2-5,8-11,13-14,16,27H,6-7,12H2,1H3,(H2,26,30)/t14-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297981
PNG
((R)-3-(1-(2-chloro-4-((3-oxopiperazin-1-yl)methyl)...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCNC(=O)C2)cc1Cl |r|
Show InChI InChI=1S/C25H24ClN5O3S/c1-15(17-6-5-16(10-18(17)26)13-30-9-7-28-23(32)14-30)34-20-11-21(35-24(20)25(27)33)19-12-29-22-4-2-3-8-31(19)22/h2-6,8,10-12,15H,7,9,13-14H2,1H3,(H2,27,33)(H,28,32)/t15-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297977
PNG
((R)-3-(1-(2-chloro-4-((4-fluoropiperidin-1-yl)meth...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCC(F)CC2)cc1Cl |r|
Show InChI InChI=1S/C26H26ClFN4O2S/c1-16(19-6-5-17(12-20(19)27)15-31-10-7-18(28)8-11-31)34-22-13-23(35-25(22)26(29)33)21-14-30-24-4-2-3-9-32(21)24/h2-6,9,12-14,16,18H,7-8,10-11,15H2,1H3,(H2,29,33)/t16-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297967
PNG
((R)-3-(1-(2-chloro-4-((methylamino)methyl)phenyl)e...)
Show SMILES CNCc1ccc([C@@H](C)Oc2cc(sc2C(N)=O)-c2cnc3ccccn23)c(Cl)c1 |r|
Show InChI InChI=1S/C22H21ClN4O2S/c1-13(15-7-6-14(11-25-2)9-16(15)23)29-18-10-19(30-21(18)22(24)28)17-12-26-20-5-3-4-8-27(17)20/h3-10,12-13,25H,11H2,1-2H3,(H2,24,28)/t13-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297982
PNG
(3-{(R)-1-[2-Chloro-4-(1,1-dioxo-1lambda*6*-thiomor...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCS(=O)(=O)CC2)cc1Cl |r|
Show InChI InChI=1S/C25H25ClN4O4S2/c1-16(18-6-5-17(12-19(18)26)15-29-8-10-36(32,33)11-9-29)34-21-13-22(35-24(21)25(27)31)20-14-28-23-4-2-3-7-30(20)23/h2-7,12-14,16H,8-11,15H2,1H3,(H2,27,31)/t16-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297978
PNG
((R)-3-(1-(2-chloro-4-((4-methylpiperazin-1-yl)meth...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCN(C)CC2)cc1Cl |r|
Show InChI InChI=1S/C26H28ClN5O2S/c1-17(19-7-6-18(13-20(19)27)16-31-11-9-30(2)10-12-31)34-22-14-23(35-25(22)26(28)33)21-15-29-24-5-3-4-8-32(21)24/h3-8,13-15,17H,9-12,16H2,1-2H3,(H2,28,33)/t17-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297975
PNG
((R)-3-(1-(2-chloro-4-((3-hydroxypropylamino)methyl...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNCCCO)cc1Cl |r|
Show InChI InChI=1S/C24H25ClN4O3S/c1-15(17-7-6-16(11-18(17)25)13-27-8-4-10-30)32-20-12-21(33-23(20)24(26)31)19-14-28-22-5-2-3-9-29(19)22/h2-3,5-7,9,11-12,14-15,27,30H,4,8,10,13H2,1H3,(H2,26,31)/t15-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297980
PNG
(3-((1R)-1-(2-chloro-4-((3-hydroxypyrrolidin-1-yl)m...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCC(O)C2)cc1Cl |r|
Show InChI InChI=1S/C25H25ClN4O3S/c1-15(18-6-5-16(10-19(18)26)13-29-9-7-17(31)14-29)33-21-11-22(34-24(21)25(27)32)20-12-28-23-4-2-3-8-30(20)23/h2-6,8,10-12,15,17,31H,7,9,13-14H2,1H3,(H2,27,32)/t15-,17?/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297984
PNG
((R)-3-(1-(4-((tert-butylamino)methyl)-2-(difluorom...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1C(F)F |r|
Show InChI InChI=1S/C26H28F2N4O2S/c1-15(17-9-8-16(11-18(17)24(27)28)13-31-26(2,3)4)34-20-12-21(35-23(20)25(29)33)19-14-30-22-7-5-6-10-32(19)22/h5-12,14-15,24,31H,13H2,1-4H3,(H2,29,33)/t15-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50297985
PNG
((R)-3-(1-(4-((tert-butylamino)methyl)-2-(difluorom...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1OC(F)F |r|
Show InChI InChI=1S/C26H28F2N4O3S/c1-15(17-9-8-16(13-31-26(2,3)4)11-19(17)35-25(27)28)34-20-12-21(36-23(20)24(29)33)18-14-30-22-7-5-6-10-32(18)22/h5-12,14-15,25,31H,13H2,1-4H3,(H2,29,33)/t15-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK2


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297973
PNG
((R)-3-(1-(4-((tert-butylamino)methyl)-2-chlorophen...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1Cl |r|
Show InChI InChI=1S/C25H27ClN4O2S/c1-15(17-9-8-16(11-18(17)26)13-29-25(2,3)4)32-20-12-21(33-23(20)24(27)31)19-14-28-22-7-5-6-10-30(19)22/h5-12,14-15,29H,13H2,1-4H3,(H2,27,31)/t15-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297969
PNG
((R)-3-(1-(2-chloro-4-((ethylamino)methyl)phenyl)et...)
Show SMILES CCNCc1ccc([C@@H](C)Oc2cc(sc2C(N)=O)-c2cnc3ccccn23)c(Cl)c1 |r|
Show InChI InChI=1S/C23H23ClN4O2S/c1-3-26-12-15-7-8-16(17(24)10-15)14(2)30-19-11-20(31-22(19)23(25)29)18-13-27-21-6-4-5-9-28(18)21/h4-11,13-14,26H,3,12H2,1-2H3,(H2,25,29)/t14-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297974
PNG
((R)-3-(1-(2-chloro-4-((2-hydroxyethylamino)methyl)...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNCCO)cc1Cl |r|
Show InChI InChI=1S/C23H23ClN4O3S/c1-14(16-6-5-15(10-17(16)24)12-26-7-9-29)31-19-11-20(32-22(19)23(25)30)18-13-27-21-4-2-3-8-28(18)21/h2-6,8,10-11,13-14,26,29H,7,9,12H2,1H3,(H2,25,30)/t14-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297968
PNG
((R)-3-(1-(2-chloro-4-((dimethylamino)methyl)phenyl...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN(C)C)cc1Cl |r|
Show InChI InChI=1S/C23H23ClN4O2S/c1-14(16-8-7-15(10-17(16)24)13-27(2)3)30-19-11-20(31-22(19)23(25)29)18-12-26-21-6-4-5-9-28(18)21/h4-12,14H,13H2,1-3H3,(H2,25,29)/t14-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297960
PNG
(5-(imidazo[1,2-a]pyridin-3-yl)-3-(2-(trifluorometh...)
Show SMILES NC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-c1cnc2ccccn12
Show InChI InChI=1S/C20H14F3N3O2S/c21-20(22,23)13-6-2-1-5-12(13)11-28-15-9-16(29-18(15)19(24)27)14-10-25-17-7-3-4-8-26(14)17/h1-10H,11H2,(H2,24,27)
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n/an/a 22n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297976
PNG
((R)-3-(1-(2-chloro-4-((1-hydroxy-2-methylpropan-2-...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)CO)cc1Cl |r|
Show InChI InChI=1S/C25H27ClN4O3S/c1-15(17-8-7-16(10-18(17)26)12-29-25(2,3)14-31)33-20-11-21(34-23(20)24(27)32)19-13-28-22-6-4-5-9-30(19)22/h4-11,13,15,29,31H,12,14H2,1-3H3,(H2,27,32)/t15-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM102307
PNG
(US8536193, 3-1)
Show SMILES NC(=N)n1c2cc(-c3ccccc3)c(nc2ccc1=N)-c1ccc(cc1)C1(N)CCC1
Show InChI InChI=1S/C25H24N6/c26-22-12-11-20-21(31(22)24(27)28)15-19(16-5-2-1-3-6-16)23(30-20)17-7-9-18(10-8-17)25(29)13-4-14-25/h1-3,5-12,15,26H,4,13-14,29H2,(H3,27,28)
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US Patent
n/an/a 24n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297972
PNG
((R)-3-(1-(2-chloro-4-((cyclopentylamino)methyl)phe...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC2CCCC2)cc1Cl |r|
Show InChI InChI=1S/C26H27ClN4O2S/c1-16(19-10-9-17(12-20(19)27)14-29-18-6-2-3-7-18)33-22-13-23(34-25(22)26(28)32)21-15-30-24-8-4-5-11-31(21)24/h4-5,8-13,15-16,18,29H,2-3,6-7,14H2,1H3,(H2,28,32)/t16-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297979
PNG
((R)-3-(1-(2-chloro-4-((4-hydroxypiperidin-1-yl)met...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CN2CCC(O)CC2)cc1Cl |r|
Show InChI InChI=1S/C26H27ClN4O3S/c1-16(19-6-5-17(12-20(19)27)15-30-10-7-18(32)8-11-30)34-22-13-23(35-25(22)26(28)33)21-14-29-24-4-2-3-9-31(21)24/h2-6,9,12-14,16,18,32H,7-8,10-11,15H2,1H3,(H2,28,33)/t16-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297970
PNG
((R)-3-(1-(2-chloro-4-((isopropylamino)methyl)pheny...)
Show SMILES CC(C)NCc1ccc([C@@H](C)Oc2cc(sc2C(N)=O)-c2cnc3ccccn23)c(Cl)c1 |r|
Show InChI InChI=1S/C24H25ClN4O2S/c1-14(2)27-12-16-7-8-17(18(25)10-16)15(3)31-20-11-21(32-23(20)24(26)30)19-13-28-22-6-4-5-9-29(19)22/h4-11,13-15,27H,12H2,1-3H3,(H2,26,30)/t15-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM102311
PNG
(US8536193, 2-1)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccc(=N)n(C(=N)c3ccccc3)c2cc1-c1ccccc1
Show InChI InChI=1S/C31H27N5/c32-28-17-16-26-27(36(28)30(33)23-10-5-2-6-11-23)20-25(21-8-3-1-4-9-21)29(35-26)22-12-14-24(15-13-22)31(34)18-7-19-31/h1-6,8-17,20,32-33H,7,18-19,34H2
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n/an/a 32n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM28165
PNG
(5-(1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl...)
Show SMILES NC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-n1cnc2ccccc12
Show InChI InChI=1S/C20H14F3N3O2S/c21-20(22,23)13-6-2-1-5-12(13)10-28-16-9-17(29-18(16)19(24)27)26-11-25-14-7-3-4-8-15(14)26/h1-9,11H,10H2,(H2,24,27)
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n/an/a 35n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297961
PNG
(3-(2-chlorobenzyloxy)-5-(imidazo[1,2-a]pyridin-3-y...)
Show SMILES NC(=O)c1sc(cc1OCc1ccccc1Cl)-c1cnc2ccccn12
Show InChI InChI=1S/C19H14ClN3O2S/c20-13-6-2-1-5-12(13)11-25-15-9-16(26-18(15)19(21)24)14-10-22-17-7-3-4-8-23(14)17/h1-10H,11H2,(H2,21,24)
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n/an/a 35n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM102312
PNG
(US8536193, 1-9)
Show SMILES NC(=O)n1c2cc(-c3ccccc3)c(nc2ccc1=N)-c1ccc(cc1)C1(CCC1)NC(=O)Cc1cccnc1
Show InChI InChI=1S/C32H28N6O2/c33-28-14-13-26-27(38(28)31(34)40)19-25(22-7-2-1-3-8-22)30(36-26)23-9-11-24(12-10-23)32(15-5-16-32)37-29(39)18-21-6-4-17-35-20-21/h1-4,6-14,17,19-20,33H,5,15-16,18H2,(H2,34,40)(H,37,39)
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US Patent
n/an/a 39n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297964
PNG
(3-(1-(2-chloro-5-(hydroxymethyl)phenyl)ethoxy)-5-(...)
Show SMILES CC(Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1cc(CO)ccc1Cl
Show InChI InChI=1S/C21H18ClN3O3S/c1-12(14-8-13(11-26)5-6-15(14)22)28-17-9-18(29-20(17)21(23)27)16-10-24-19-4-2-3-7-25(16)19/h2-10,12,26H,11H2,1H3,(H2,23,27)
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n/an/a 39n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297983
PNG
((R)-3-(1-(4-((tert-butylamino)methyl)-2-fluorophen...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1F |r|
Show InChI InChI=1S/C25H27FN4O2S/c1-15(17-9-8-16(11-18(17)26)13-29-25(2,3)4)32-20-12-21(33-23(20)24(27)31)19-14-28-22-7-5-6-10-30(19)22/h5-12,14-15,29H,13H2,1-4H3,(H2,27,31)/t15-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM102308
PNG
(US8536193, 4-1)
Show SMILES CC(=N)n1c2cc(-c3ccccc3)c(nc2ccc1=N)-c1ccc(cc1)C1(N)CCC1
Show InChI InChI=1S/C26H25N5/c1-17(27)31-23-16-21(18-6-3-2-4-7-18)25(30-22(23)12-13-24(31)28)19-8-10-20(11-9-19)26(29)14-5-15-26/h2-4,6-13,16,27-28H,5,14-15,29H2,1H3
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n/an/a 50n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297963
PNG
((R)-3-(1-(2-(hydroxymethyl)phenyl)ethoxy)-5-(imida...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccccc1CO |r|
Show InChI InChI=1S/C21H19N3O3S/c1-13(15-7-3-2-6-14(15)12-25)27-17-10-18(28-20(17)21(22)26)16-11-23-19-8-4-5-9-24(16)19/h2-11,13,25H,12H2,1H3,(H2,22,26)/t13-/m1/s1
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n/an/a 88n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297992
PNG
(3-(1-(2-chlorophenyl)ethoxy)-5-(7-(hydroxymethyl)i...)
Show SMILES CC(Oc1cc(sc1C(N)=O)-c1cnc2cc(CO)ccn12)c1ccccc1Cl
Show InChI InChI=1S/C21H18ClN3O3S/c1-12(14-4-2-3-5-15(14)22)28-17-9-18(29-20(17)21(23)27)16-10-24-19-8-13(11-26)6-7-25(16)19/h2-10,12,26H,11H2,1H3,(H2,23,27)
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n/an/a 92n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297986
PNG
(5-(pyrazolo[1,5-a]pyridin-3-yl)-3-(2-(trifluoromet...)
Show SMILES NC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-c1cnn2ccccc12
Show InChI InChI=1S/C20H14F3N3O2S/c21-20(22,23)14-6-2-1-5-12(14)11-28-16-9-17(29-18(16)19(24)27)13-10-25-26-8-4-3-7-15(13)26/h1-10H,11H2,(H2,24,27)
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n/an/a 130n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM102309
PNG
(US8536193, 5-12)
Show SMILES NC1(CC(F)(F)C1)c1ccc(cc1)-c1nc2ccc(=N)n(C(=N)c3ccccc3)c2cc1-c1ccccc1
Show InChI InChI=1S/C31H25F2N5/c32-31(33)18-30(36,19-31)23-13-11-21(12-14-23)28-24(20-7-3-1-4-8-20)17-26-25(37-28)15-16-27(34)38(26)29(35)22-9-5-2-6-10-22/h1-17,34-35H,18-19,36H2
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n/an/a 140n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297993
PNG
((R)-3-(1-(4-((tert-butylamino)methyl)-2-methylphen...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1C |r|
Show InChI InChI=1S/C26H30N4O2S/c1-16-12-18(14-29-26(3,4)5)9-10-19(16)17(2)32-21-13-22(33-24(21)25(27)31)20-15-28-23-8-6-7-11-30(20)23/h6-13,15,17,29H,14H2,1-5H3,(H2,27,31)/t17-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50297985
PNG
((R)-3-(1-(4-((tert-butylamino)methyl)-2-(difluorom...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1OC(F)F |r|
Show InChI InChI=1S/C26H28F2N4O3S/c1-15(17-9-8-16(13-31-26(2,3)4)11-19(17)35-25(27)28)34-20-12-21(36-23(20)24(29)33)18-14-30-22-7-5-6-10-32(18)22/h5-12,14-15,25,31H,13H2,1-4H3,(H2,29,33)/t15-/m1/s1
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n/an/a 178n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM102312
PNG
(US8536193, 1-9)
Show SMILES NC(=O)n1c2cc(-c3ccccc3)c(nc2ccc1=N)-c1ccc(cc1)C1(CCC1)NC(=O)Cc1cccnc1
Show InChI InChI=1S/C32H28N6O2/c33-28-14-13-26-27(38(28)31(34)40)19-25(22-7-2-1-3-8-22)30(36-26)23-9-11-24(12-10-23)32(15-5-16-32)37-29(39)18-21-6-4-17-35-20-21/h1-4,6-14,17,19-20,33H,5,15-16,18H2,(H2,34,40)(H,37,39)
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US Patent
n/an/a 200n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...


US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297994
PNG
((R)-3-(1-(4-((tert-butylamino)methyl)-2-cyclopropy...)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccc(CNC(C)(C)C)cc1C1CC1 |r|
Show InChI InChI=1S/C28H32N4O2S/c1-17(20-11-8-18(15-31-28(2,3)4)13-21(20)19-9-10-19)34-23-14-24(35-26(23)27(29)33)22-16-30-25-7-5-6-12-32(22)25/h5-8,11-14,16-17,19,31H,9-10,15H2,1-4H3,(H2,29,33)/t17-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297991
PNG
((S)-3-(1-(2-chlorophenyl)ethoxy)-5-(imidazo[1,2-a]...)
Show SMILES C[C@H](Oc1cc(sc1C(N)=O)-c1cnc2ccccn12)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H16ClN3O2S/c1-12(13-6-2-3-7-14(13)21)26-16-10-17(27-19(16)20(22)25)15-11-23-18-8-4-5-9-24(15)18/h2-12H,1H3,(H2,22,25)/t12-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297987
PNG
(5-(1-methyl-1H-imidazol-5-yl)-3-(2-(trifluoromethy...)
Show SMILES Cn1cncc1-c1cc(OCc2ccccc2C(F)(F)F)c(s1)C(N)=O
Show InChI InChI=1S/C17H14F3N3O2S/c1-23-9-22-7-12(23)14-6-13(15(26-14)16(21)24)25-8-10-4-2-3-5-11(10)17(18,19)20/h2-7,9H,8H2,1H3,(H2,21,24)
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n/an/a 430n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50297990
PNG
(5-(2-benzamidothiazol-5-yl)-3-(2-(trifluoromethyl)...)
Show SMILES NC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-c1cnc(NC(=O)c2ccccc2)s1
Show InChI InChI=1S/C23H16F3N3O3S2/c24-23(25,26)15-9-5-4-8-14(15)12-32-16-10-17(33-19(16)20(27)30)18-11-28-22(34-18)29-21(31)13-6-2-1-3-7-13/h1-11H,12H2,(H2,27,30)(H,28,29,31)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 19: 4673-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.084
BindingDB Entry DOI: 10.7270/Q22R3RQG
More data for this
Ligand-Target Pair
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