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Compile Data Set for Download or QSAR

Found 20 hits from Duke University Medical Center   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/a 200n/an/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens)
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/a 200n/an/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 2 (DYRK2)


(Homo sapiens)
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens)
BDBM104066
PNG
(HS43)
Show SMILES OCCSc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C13H11ClN4O2S/c14-8-2-1-3-9(6-8)18-11-10(7-15-18)12(20)17-13(16-11)21-5-4-19/h1-3,6-7,19H,4-5H2,(H,16,17,20)
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n/an/an/a 1.50E+3n/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM104066
PNG
(HS43)
Show SMILES OCCSc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C13H11ClN4O2S/c14-8-2-1-3-9(6-8)18-11-10(7-15-18)12(20)17-13(16-11)21-5-4-19/h1-3,6-7,19H,4-5H2,(H,16,17,20)
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n/an/an/a 1.80E+3n/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM104066
PNG
(HS43)
Show SMILES OCCSc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C13H11ClN4O2S/c14-8-2-1-3-9(6-8)18-11-10(7-15-18)12(20)17-13(16-11)21-5-4-19/h1-3,6-7,19H,4-5H2,(H,16,17,20)
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n/an/an/a 3.20E+3n/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens)
BDBM104066
PNG
(HS43)
Show SMILES OCCSc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C13H11ClN4O2S/c14-8-2-1-3-9(6-8)18-11-10(7-15-18)12(20)17-13(16-11)21-5-4-19/h1-3,6-7,19H,4-5H2,(H,16,17,20)
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n/an/an/a 320n/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens)
BDBM104066
PNG
(HS43)
Show SMILES OCCSc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C13H11ClN4O2S/c14-8-2-1-3-9(6-8)18-11-10(7-15-18)12(20)17-13(16-11)21-5-4-19/h1-3,6-7,19H,4-5H2,(H,16,17,20)
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n/an/an/a 1.50E+3n/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/an/a 810n/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/an/a 6.50E+3n/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/an/a 1.80E+3n/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens)
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/an/a 280n/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM104066
PNG
(HS43)
Show SMILES OCCSc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C13H11ClN4O2S/c14-8-2-1-3-9(6-8)18-11-10(7-15-18)12(20)17-13(16-11)21-5-4-19/h1-3,6-7,19H,4-5H2,(H,16,17,20)
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n/an/an/a 1.60E+3n/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens)
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/an/a 300n/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(Homo sapiens)
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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n/an/an/a 79n/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair