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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'weitzel' and Initial = 'dh'   
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
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50498799
PNG
(Manassantin A | Manassantin B1)
Show SMILES COc1ccc(cc1OC)[C@@H](O)[C@@H](C)Oc1ccc(cc1O)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 |r|
Show InChI InChI=1S/C41H50O11/c1-22-23(2)41(29-13-17-34(37(21-29)49-9)51-25(4)39(44)27-11-16-33(46-6)36(20-27)48-8)52-40(22)28-12-14-31(30(42)18-28)50-24(3)38(43)26-10-15-32(45-5)35(19-26)47-7/h10-25,38-44H,1-9H3/t22-,23-,24-,25-,38+,39+,40+,41+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay

J Med Chem 58: 7659-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01220
BindingDB Entry DOI: 10.7270/Q2T156N9
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(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
Serine/threonine-protein kinase pim-3


(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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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
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50498797
PNG
(CHEMBL3105545)
Show SMILES COc1ccc(cc1OC)[C@@H](O)[C@@H](C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C32H40O8/c1-18-19(2)32(40-31(18)22-10-13-25(35-5)28(16-22)37-7)23-11-14-26(29(17-23)38-8)39-20(3)30(33)21-9-12-24(34-4)27(15-21)36-6/h9-20,30-33H,1-8H3/t18-,19-,20-,30+,31+,32+/m1/s1
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Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay

J Med Chem 58: 7659-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01220
BindingDB Entry DOI: 10.7270/Q2T156N9
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50498805
PNG
(CHEMBL3623807)
Show SMILES COc1ccc(cc1OC)C(=O)COc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OCC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 |r|
Show InChI InChI=1S/C40H44O11/c1-23-24(2)40(28-12-16-34(38(20-28)48-8)50-22-30(42)26-10-14-32(44-4)36(18-26)46-6)51-39(23)27-11-15-33(37(19-27)47-7)49-21-29(41)25-9-13-31(43-3)35(17-25)45-5/h9-20,23-24,39-40H,21-22H2,1-8H3/t23-,24-,39+,40+/m1/s1
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Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay

J Med Chem 58: 7659-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01220
BindingDB Entry DOI: 10.7270/Q2T156N9
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50498796
PNG
(CHEMBL3623808)
Show SMILES COc1ccc(cc1OC)[C@@H](O)COc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 |r|
Show InChI InChI=1S/C40H48O11/c1-23-24(2)40(28-12-16-34(38(20-28)48-8)50-22-30(42)26-10-14-32(44-4)36(18-26)46-6)51-39(23)27-11-15-33(37(19-27)47-7)49-21-29(41)25-9-13-31(43-3)35(17-25)45-5/h9-20,23-24,29-30,39-42H,21-22H2,1-8H3/t23-,24-,29+,30+,39+,40+/m1/s1
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Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay

J Med Chem 58: 7659-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01220
BindingDB Entry DOI: 10.7270/Q2T156N9
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50498801
PNG
(CHEMBL3623806)
Show SMILES CO[C@@H]([C@@H](C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)[C@H](OC)c2ccc(OC)c(OC)c2)c(OC)c1)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C44H56O11/c1-25-26(2)42(30-16-20-36(40(22-30)50-10)54-28(4)44(52-12)32-14-18-34(46-6)38(24-32)48-8)55-41(25)29-15-19-35(39(21-29)49-9)53-27(3)43(51-11)31-13-17-33(45-5)37(23-31)47-7/h13-28,41-44H,1-12H3/t25-,26-,27-,28-,41+,42+,43+,44+/m1/s1
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Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay

J Med Chem 58: 7659-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01220
BindingDB Entry DOI: 10.7270/Q2T156N9
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50498794
PNG
(CHEMBL3623812)
Show SMILES COc1cc(ccc1O[C@H](C)[C@H](O)c1ccccc1)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)[C@H](O)c2ccccc2)c(OC)c1 |r|
Show InChI InChI=1S/C38H44O7/c1-23-24(2)38(30-18-20-32(34(22-30)42-6)44-26(4)36(40)28-15-11-8-12-16-28)45-37(23)29-17-19-31(33(21-29)41-5)43-25(3)35(39)27-13-9-7-10-14-27/h7-26,35-40H,1-6H3/t23-,24-,25-,26-,35+,36+,37+,38+/m1/s1
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Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay

J Med Chem 58: 7659-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01220
BindingDB Entry DOI: 10.7270/Q2T156N9
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50498800
PNG
(CHEMBL3623811)
Show SMILES COc1cc(ccc1O[C@H](C)C(=O)c1ccccc1)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)C(=O)c2ccccc2)c(OC)c1 |r|
Show InChI InChI=1S/C38H40O7/c1-23-24(2)38(30-18-20-32(34(22-30)42-6)44-26(4)36(40)28-15-11-8-12-16-28)45-37(23)29-17-19-31(33(21-29)41-5)43-25(3)35(39)27-13-9-7-10-14-27/h7-26,37-38H,1-6H3/t23-,24-,25-,26-,37+,38+/m1/s1
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Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay

J Med Chem 58: 7659-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01220
BindingDB Entry DOI: 10.7270/Q2T156N9
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50498804
PNG
(CHEMBL3623805)
Show SMILES COc1ccc(cc1OC)C(=O)[C@@H](C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)C(=O)c2ccc(OC)c(OC)c2)c(OC)c1 |r|
Show InChI InChI=1S/C42H48O11/c1-23-24(2)42(30-14-18-34(38(22-30)50-10)52-26(4)40(44)28-12-16-32(46-6)36(20-28)48-8)53-41(23)29-13-17-33(37(21-29)49-9)51-25(3)39(43)27-11-15-31(45-5)35(19-27)47-7/h11-26,41-42H,1-10H3/t23-,24-,25-,26-,41+,42+/m1/s1
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Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay

J Med Chem 58: 7659-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01220
BindingDB Entry DOI: 10.7270/Q2T156N9
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
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50498803
PNG
(CHEMBL3623810)
Show SMILES COc1ccc(CCOc2ccc(cc2OC)[C@H]2O[C@@H]([C@H](C)[C@H]2C)c2ccc(OCCc3ccc(OC)c(OC)c3)c(OC)c2)cc1OC |r|
Show InChI InChI=1S/C40H48O9/c1-25-26(2)40(30-12-16-34(38(24-30)46-8)48-20-18-28-10-14-32(42-4)36(22-28)44-6)49-39(25)29-11-15-33(37(23-29)45-7)47-19-17-27-9-13-31(41-3)35(21-27)43-5/h9-16,21-26,39-40H,17-20H2,1-8H3/t25-,26-,39+,40+/m1/s1
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n/an/a 1.44E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay

J Med Chem 58: 7659-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01220
BindingDB Entry DOI: 10.7270/Q2T156N9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(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-phosphorylation-regulated kinase 2 [393-601]


(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+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
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50498795
PNG
(CHEMBL3623809)
Show SMILES CO[C@@H](COc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC[C@H](OC)c2ccc(OC)c(OC)c2)c(OC)c1)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C42H52O11/c1-25-26(2)42(30-14-18-34(38(22-30)48-8)52-24-40(50-10)28-12-16-32(44-4)36(20-28)46-6)53-41(25)29-13-17-33(37(21-29)47-7)51-23-39(49-9)27-11-15-31(43-3)35(19-27)45-5/h11-22,25-26,39-42H,23-24H2,1-10H3/t25-,26-,39+,40+,41+,42+/m1/s1
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n/an/a 1.93E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay

J Med Chem 58: 7659-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01220
BindingDB Entry DOI: 10.7270/Q2T156N9
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50498793
PNG
(CHEMBL3623803)
Show SMILES COc1ccc(cc1O)C(=O)[C@@H](C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)C(=O)c2ccc(OC)c(O)c2)c(OC)c1 |r|
Show InChI InChI=1S/C40H44O11/c1-21-22(2)40(28-12-16-34(36(20-28)48-8)50-24(4)38(44)26-10-14-32(46-6)30(42)18-26)51-39(21)27-11-15-33(35(19-27)47-7)49-23(3)37(43)25-9-13-31(45-5)29(41)17-25/h9-24,39-42H,1-8H3/t21-,22-,23-,24-,39+,40+/m1/s1
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n/an/a 2.11E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay

J Med Chem 58: 7659-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01220
BindingDB Entry DOI: 10.7270/Q2T156N9
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50498802
PNG
(CHEMBL3621232)
Show SMILES COc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)C(=O)c2ccc(OC)c(OC)c2)c(OC)c1 |r|
Show InChI InChI=1S/C32H38O8/c1-18-19(2)32(40-31(18)22-10-13-25(35-5)28(16-22)37-7)23-11-14-26(29(17-23)38-8)39-20(3)30(33)21-9-12-24(34-4)27(15-21)36-6/h9-20,31-32H,1-8H3/t18-,19-,20-,31+,32+/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay

J Med Chem 58: 7659-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01220
BindingDB Entry DOI: 10.7270/Q2T156N9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(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
Myosin light chain kinase, smooth muscle


(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 1.90E+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 2


(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
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50498798
PNG
(CHEMBL3623804)
Show SMILES COc1ccc(cc1OC)C(=O)COc1cc(ccc1OC)C(=O)[C@@H](C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)C(=O)c2ccc(OC)c(OCC(=O)c3ccc(OC)c(OC)c3)c2)c(OC)c1 |r|
Show InChI InChI=1S/C60H64O17/c1-33-34(2)60(42-18-24-50(54(30-42)72-12)76-36(4)58(64)40-16-22-48(68-8)56(28-40)74-32-44(62)38-14-20-46(66-6)52(26-38)70-10)77-59(33)41-17-23-49(53(29-41)71-11)75-35(3)57(63)39-15-21-47(67-7)55(27-39)73-31-43(61)37-13-19-45(65-5)51(25-37)69-9/h13-30,33-36,59-60H,31-32H2,1-12H3/t33-,34-,35-,36-,59+,60+/m1/s1
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n/an/a>1.00E+7n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pRL-SV40 after 24 hrs by dual luciferase reporter assay

J Med Chem 58: 7659-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01220
BindingDB Entry DOI: 10.7270/Q2T156N9
More data for this
Ligand-Target Pair
Death-associated protein kinase 1


(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 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
Serine/threonine-protein kinase pim-3


(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
Serine/threonine-protein kinase pim-2


(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
Serine/threonine-protein kinase pim-1


(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
Death-associated protein kinase 1


(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 1.50E+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
Death-associated protein kinase 1


(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 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 (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 1.50E+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-3


(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-2


(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
Death-associated protein kinase 1


(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 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
Death-associated protein kinase 1


(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 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-1


(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