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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with Target = 'GST-CDK2/CycE' AND taxid = 9606   
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
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258888
PNG
(US9499492, 40)
Show SMILES C[S@](=O)(Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N
Show InChI InChI=1S/C19H13BrF3N5OS/c1-30(29,26-10-24)9-11-4-12(20)6-14(5-11)27-19-25-8-17(23)18(28-19)15-3-2-13(21)7-16(15)22/h2-8H,9H2,1H3,(H,25,27,28)/t30-/m0/s1
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n/an/a 102n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258868
PNG
(US9499492, 20)
Show SMILES COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C20H16F3N5O2S/c1-30-15-6-12(10-31(2,29)26-11-24)5-14(8-15)27-20-25-9-18(23)19(28-20)16-4-3-13(21)7-17(16)22/h3-9H,10H2,1-2H3,(H,25,27,28)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258871
PNG
(US9499492, 23)
Show SMILES C[S@@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC(N)=O
Show InChI InChI=1S/C20H15F6N5O2S/c1-34(33,31-18(27)32)9-10-4-11(20(24,25)26)6-13(5-10)29-19-28-8-16(23)17(30-19)14-3-2-12(21)7-15(14)22/h2-8H,9H2,1H3,(H2,27,32)(H,28,29,30)/t34-/m1/s1
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US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258867
PNG
(US9499492, 19)
Show SMILES CS(=N)(=O)Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C18H14BrF3N4OS/c1-28(23,27)9-10-4-11(19)6-13(5-10)25-18-24-8-16(22)17(26-18)14-3-2-12(20)7-15(14)21/h2-8,23H,9H2,1H3,(H,24,25,26)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258883
PNG
(US9499492, 35)
Show SMILES Cc1cc(C[S@@](C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C20H16F3N5OS/c1-12-5-13(10-30(2,29)26-11-24)7-15(6-12)27-20-25-9-18(23)19(28-20)16-4-3-14(21)8-17(16)22/h3-9H,10H2,1-2H3,(H,25,27,28)/t30-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258884
PNG
(US9499492, 36)
Show SMILES Cc1cc(C[S@](C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C20H16F3N5OS/c1-12-5-13(10-30(2,29)26-11-24)7-15(6-12)27-20-25-9-18(23)19(28-20)16-4-3-14(21)8-17(16)22/h3-9H,10H2,1-2H3,(H,25,27,28)/t30-/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258887
PNG
(US9499492, 39)
Show SMILES C[S@@](=O)(Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N
Show InChI InChI=1S/C19H13BrF3N5OS/c1-30(29,26-10-24)9-11-4-12(20)6-14(5-11)27-19-25-8-17(23)18(28-19)15-3-2-13(21)7-16(15)22/h2-8H,9H2,1H3,(H,25,27,28)/t30-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258864
PNG
(US9499492, 16)
Show SMILES Cc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C20H16F3N5OS/c1-12-5-13(10-30(2,29)26-11-24)7-15(6-12)27-20-25-9-18(23)19(28-20)16-4-3-14(21)8-17(16)22/h3-9H,10H2,1-2H3,(H,25,27,28)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258866
PNG
(US9499492, 18)
Show SMILES CS(=O)(Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N
Show InChI InChI=1S/C19H13BrF3N5OS/c1-30(29,26-10-24)9-11-4-12(20)6-14(5-11)27-19-25-8-17(23)18(28-19)15-3-2-13(21)7-16(15)22/h2-8H,9H2,1H3,(H,25,27,28)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258890
PNG
(US9499492, 42)
Show SMILES C[S@](=N)(=O)Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C18H14BrF3N4OS/c1-28(23,27)9-10-4-11(19)6-13(5-10)25-18-24-8-16(22)17(26-18)14-3-2-12(20)7-15(14)21/h2-8,23H,9H2,1H3,(H,24,25,26)/t28-/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258865
PNG
(US9499492, 17)
Show SMILES Cc1cc(CS(C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C19H17F3N4OS/c1-11-5-12(10-28(2,23)27)7-14(6-11)25-19-24-9-17(22)18(26-19)15-4-3-13(20)8-16(15)21/h3-9,23H,10H2,1-2H3,(H,24,25,26)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258889
PNG
(US9499492, 41)
Show SMILES C[S@@](=N)(=O)Cc1cc(Br)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C18H14BrF3N4OS/c1-28(23,27)9-10-4-11(19)6-13(5-10)25-18-24-8-16(22)17(26-18)14-3-2-12(20)7-15(14)21/h2-8,23H,9H2,1H3,(H,24,25,26)/t28-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258862
PNG
(US9499492, 14)
Show SMILES CS(=O)(Cc1cc(Cl)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N
Show InChI InChI=1S/C19H13ClF3N5OS/c1-30(29,26-10-24)9-11-4-12(20)6-14(5-11)27-19-25-8-17(23)18(28-19)15-3-2-13(21)7-16(15)22/h2-8H,9H2,1H3,(H,25,27,28)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258856
PNG
(US9499492, 8)
Show SMILES CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C21H19F3N4O3S/c1-3-31-21(29)28-32(2,30)12-13-5-4-6-15(9-13)26-20-25-11-18(24)19(27-20)16-8-7-14(22)10-17(16)23/h4-11H,3,12H2,1-2H3,(H,25,26,27)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258858
PNG
(US9499492, 10)
Show SMILES CS(=O)(Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1)=NC#N
Show InChI InChI=1S/C19H13F4N5OS/c1-30(29,26-10-24)9-11-4-13(21)6-14(5-11)27-19-25-8-17(23)18(28-19)15-3-2-12(20)7-16(15)22/h2-8H,9H2,1H3,(H,25,27,28)
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US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258854
PNG
(US9499492, 6)
Show SMILES C[S@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F6N4OS/c1-31(26,30)9-10-4-11(19(23,24)25)6-13(5-10)28-18-27-8-16(22)17(29-18)14-3-2-12(20)7-15(14)21/h2-8,26H,9H2,1H3,(H,27,28,29)/t31-/m0/s1
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US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258863
PNG
(US9499492, 15)
Show SMILES CS(=N)(=O)Cc1cc(Cl)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C18H14ClF3N4OS/c1-28(23,27)9-10-4-11(19)6-13(5-10)25-18-24-8-16(22)17(26-18)14-3-2-12(20)7-15(14)21/h2-8,23H,9H2,1H3,(H,24,25,26)
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US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258872
PNG
(US9499492, 24)
Show SMILES C[S@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC(N)=O
Show InChI InChI=1S/C20H15F6N5O2S/c1-34(33,31-18(27)32)9-10-4-11(20(24,25)26)6-13(5-10)29-19-28-8-16(23)17(30-19)14-3-2-12(21)7-15(14)22/h2-8H,9H2,1H3,(H2,27,32)(H,28,29,30)/t34-/m0/s1
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US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258886
PNG
(US9499492, 38)
Show SMILES Cc1cc(C[S@@](C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C19H17F3N4OS/c1-11-5-12(10-28(2,23)27)7-14(6-11)25-19-24-9-17(22)18(26-19)15-4-3-13(20)8-16(15)21/h3-9,23H,10H2,1-2H3,(H,24,25,26)/t28-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258861
PNG
(US9499492, 13)
Show SMILES C[S@](=N)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C18H14F4N4OS/c1-28(23,27)9-10-4-12(20)6-13(5-10)25-18-24-8-16(22)17(26-18)14-3-2-11(19)7-15(14)21/h2-8,23H,9H2,1H3,(H,24,25,26)/t28-/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258853
PNG
(US9499492, 5)
Show SMILES C[S@@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F6N4OS/c1-31(26,30)9-10-4-11(19(23,24)25)6-13(5-10)28-18-27-8-16(22)17(29-18)14-3-2-12(20)7-15(14)21/h2-8,26H,9H2,1H3,(H,27,28,29)/t31-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258885
PNG
(US9499492, 37)
Show SMILES Cc1cc(C[S@](C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C19H17F3N4OS/c1-11-5-12(10-28(2,23)27)7-14(6-11)25-19-24-9-17(22)18(26-19)15-4-3-13(20)8-16(15)21/h3-9,23H,10H2,1-2H3,(H,24,25,26)/t28-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258852
PNG
(US9499492, 4)
Show SMILES CS(=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C19H14F6N4OS/c1-31(26,30)9-10-4-11(19(23,24)25)6-13(5-10)28-18-27-8-16(22)17(29-18)14-3-2-12(20)7-15(14)21/h2-8,26H,9H2,1H3,(H,27,28,29)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258879
PNG
(US9499492, 31)
Show SMILES C[S@@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C18H14F8N4OS2/c1-32(27,31)9-10-4-12(7-13(5-10)33(22,23,24,25)26)29-18-28-8-16(21)17(30-18)14-3-2-11(19)6-15(14)20/h2-8,27H,9H2,1H3,(H,28,29,30)/t32-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258859
PNG
(US9499492, 11)
Show SMILES CS(=N)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C18H14F4N4OS/c1-28(23,27)9-10-4-12(20)6-13(5-10)25-18-24-8-16(22)17(26-18)14-3-2-11(19)7-15(14)21/h2-8,23H,9H2,1H3,(H,24,25,26)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258877
PNG
(US9499492, 29)
Show SMILES C[S@@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F)=NC#N
Show InChI InChI=1S/C19H13F8N5OS2/c1-34(33,30-10-28)9-11-4-13(7-14(5-11)35(23,24,25,26)27)31-19-29-8-17(22)18(32-19)15-3-2-12(20)6-16(15)21/h2-8H,9H2,1H3,(H,29,31,32)/t34-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258875
PNG
(US9499492, 27)
Show SMILES NCC[S@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H17F6N5OS/c21-13-1-2-15(16(22)8-13)18-17(23)9-29-19(31-18)30-14-6-11(10-33(28,32)4-3-27)5-12(7-14)20(24,25)26/h1-2,5-9,28H,3-4,10,27H2,(H,29,30,31)/t33-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258857
PNG
(US9499492, 9)
Show SMILES CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C18H15F3N4OS/c1-27(22,26)10-11-3-2-4-13(7-11)24-18-23-9-16(21)17(25-18)14-6-5-12(19)8-15(14)20/h2-9,22H,10H2,1H3,(H,23,24,25)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258855
PNG
(US9499492, 7)
Show SMILES CS(=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC(N)=O
Show InChI InChI=1S/C20H15F6N5O2S/c1-34(33,31-18(27)32)9-10-4-11(20(24,25)26)6-13(5-10)29-19-28-8-16(23)17(30-19)14-3-2-12(21)7-15(14)22/h2-8H,9H2,1H3,(H2,27,32)(H,28,29,30)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258869
PNG
(US9499492, 21)
Show SMILES COc1cc(CS(C)(=N)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C19H17F3N4O2S/c1-28-14-6-11(10-29(2,23)27)5-13(8-14)25-19-24-9-17(22)18(26-19)15-4-3-12(20)7-16(15)21/h3-9,23H,10H2,1-2H3,(H,24,25,26)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258870
PNG
(US9499492, 22)
Show SMILES COCCS(=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC#N
Show InChI InChI=1S/C22H17F6N5O2S/c1-35-4-5-36(34,31-12-29)11-13-6-14(22(26,27)28)8-16(7-13)32-21-30-10-19(25)20(33-21)17-3-2-15(23)9-18(17)24/h2-3,6-10H,4-5,11H2,1H3,(H,30,32,33)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258850
PNG
(US9499492, 2)
Show SMILES C[S@@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC#N
Show InChI InChI=1S/C20H13F6N5OS/c1-33(32,29-10-27)9-11-4-12(20(24,25)26)6-14(5-11)30-19-28-8-17(23)18(31-19)15-3-2-13(21)7-16(15)22/h2-8H,9H2,1H3,(H,28,30,31)/t33-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258874
PNG
(US9499492, 26)
Show SMILES NCC[S@@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H17F6N5OS/c21-13-1-2-15(16(22)8-13)18-17(23)9-29-19(31-18)30-14-6-11(10-33(28,32)4-3-27)5-12(7-14)20(24,25)26/h1-2,5-9,28H,3-4,10,27H2,(H,29,30,31)/t33-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258876
PNG
(US9499492, 28)
Show SMILES CS(=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F)=NC#N
Show InChI InChI=1S/C19H13F8N5OS2/c1-34(33,30-10-28)9-11-4-13(7-14(5-11)35(23,24,25,26)27)31-19-29-8-17(22)18(32-19)15-3-2-12(20)6-16(15)21/h2-8H,9H2,1H3,(H,29,31,32)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258851
PNG
(US9499492, 3)
Show SMILES C[S@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC#N
Show InChI InChI=1S/C20H13F6N5OS/c1-33(32,29-10-27)9-11-4-12(20(24,25)26)6-14(5-11)30-19-28-8-17(23)18(31-19)15-3-2-13(21)7-16(15)22/h2-8H,9H2,1H3,(H,28,30,31)/t33-/m0/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258849
PNG
(US9499492, 1)
Show SMILES CS(=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC#N
Show InChI InChI=1S/C20H13F6N5OS/c1-33(32,29-10-27)9-11-4-12(20(24,25)26)6-14(5-11)30-19-28-8-17(23)18(31-19)15-3-2-13(21)7-16(15)22/h2-8H,9H2,1H3,(H,28,30,31)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258878
PNG
(US9499492, 30)
Show SMILES C[S@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F)=NC#N
Show InChI InChI=1S/C19H13F8N5OS2/c1-34(33,30-10-28)9-11-4-13(7-14(5-11)35(23,24,25,26)27)31-19-29-8-17(22)18(32-19)15-3-2-12(20)6-16(15)21/h2-8H,9H2,1H3,(H,29,31,32)/t34-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258881
PNG
(US9499492, 33)
Show SMILES C[S@@](=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F)=NC(N)=O
Show InChI InChI=1S/C19H15F8N5O2S2/c1-35(34,32-18(28)33)9-10-4-12(7-13(5-10)36(23,24,25,26)27)30-19-29-8-16(22)17(31-19)14-3-2-11(20)6-15(14)21/h2-8H,9H2,1H3,(H2,28,33)(H,29,30,31)/t35-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258880
PNG
(US9499492, 32)
Show SMILES C[S@](=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)S(F)(F)(F)(F)F
Show InChI InChI=1S/C18H14F8N4OS2/c1-32(27,31)9-10-4-12(7-13(5-10)33(22,23,24,25)26)29-18-28-8-16(21)17(30-18)14-3-2-11(19)6-15(14)20/h2-8,27H,9H2,1H3,(H,28,29,30)/t32-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258860
PNG
(US9499492, 12)
Show SMILES C[S@@](=N)(=O)Cc1cc(F)cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)c1
Show InChI InChI=1S/C18H14F4N4OS/c1-28(23,27)9-10-4-12(20)6-13(5-10)25-18-24-8-16(22)17(26-18)14-3-2-11(19)7-15(14)21/h2-8,23H,9H2,1H3,(H,24,25,26)/t28-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair
GST-CDK2/CycE


(Homo sapiens (Human)-Homo sapiens (human))
BDBM258873
PNG
(US9499492, 25)
Show SMILES NCCS(=N)(=O)Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H17F6N5OS/c21-13-1-2-15(16(22)8-13)18-17(23)9-29-19(31-18)30-14-6-11(10-33(28,32)4-3-27)5-12(7-14)20(24,25)26/h1-2,5-9,28H,3-4,10,27H2,(H,29,30,31)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Method 2: Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sep...


US Patent US9499492 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GW0
More data for this
Ligand-Target Pair