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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 7000   
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
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM164883
PNG
(US9067888, 33)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Show InChI InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
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n/an/a 3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM164884
PNG
(US9067888, 34)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
Show InChI InChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)
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n/an/a 10n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM164883
PNG
(US9067888, 33)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Show InChI InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
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n/an/a 94n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM164884
PNG
(US9067888, 34)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
Show InChI InChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)
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n/an/a 99n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM164883
PNG
(US9067888, 33)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Show InChI InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
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n/an/a 160n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM164883
PNG
(US9067888, 33)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Show InChI InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
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n/an/a 168n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 3 (CDK3)


(Homo sapiens (Human))
BDBM164883
PNG
(US9067888, 33)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Show InChI InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
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n/an/a 219n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM164884
PNG
(US9067888, 34)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
Show InChI InChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)
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n/an/a 857n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM164883
PNG
(US9067888, 33)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Show InChI InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
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n/an/a 903n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM164884
PNG
(US9067888, 34)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
Show InChI InChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)
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n/an/a 913n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM164883
PNG
(US9067888, 33)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Show InChI InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
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n/an/a 1.08E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM164884
PNG
(US9067888, 34)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
Show InChI InChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)
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n/an/a 1.34E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 3 (CDK3)


(Homo sapiens (Human))
BDBM164884
PNG
(US9067888, 34)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
Show InChI InChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)
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n/an/a 1.45E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM164884
PNG
(US9067888, 34)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
Show InChI InChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)
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n/an/a 1.88E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM164883
PNG
(US9067888, 33)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Show InChI InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
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n/an/a>5.00E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM164884
PNG
(US9067888, 34)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
Show InChI InChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)
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n/an/a>5.00E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM164883
PNG
(US9067888, 33)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Show InChI InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
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n/an/a>5.00E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM164884
PNG
(US9067888, 34)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
Show InChI InChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)
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n/an/a>5.00E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM164883
PNG
(US9067888, 33)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Show InChI InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
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n/an/a>5.00E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM164884
PNG
(US9067888, 34)
Show SMILES COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
Show InChI InChI=1S/C20H22FN3O3/c1-12(25)23-16-5-3-14(9-16)20(26)24-19-10-13(7-8-22-19)17-6-4-15(21)11-18(17)27-2/h4,6-8,10-11,14,16H,3,5,9H2,1-2H3,(H,23,25)(H,22,24,26)
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n/an/a>5.00E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In vitro kinase assay analysis may be performed using standard techniques described in the art. These techniques are also used by commercial services...


US Patent US9067888 (2015)


BindingDB Entry DOI: 10.7270/Q2CR5S4T
More data for this
Ligand-Target Pair