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Compile Data Set for Download or QSAR

Found 1140 hits with Last Name = 'albom' and Initial = 'ms'   
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
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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 500n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of adenosine A2A receptor

J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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 2.90E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M4 receptor

J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50361211
PNG
(CHEMBL1934340)
Show SMILES CN(c1cccc(c1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12)S(C)(=O)=O
Show InChI InChI=1S/C27H31N7O3S/c1-32(38(2,36)37)23-5-3-4-21(16-23)25-11-10-24-17-29-27(31-34(24)25)30-22-8-6-19(7-9-22)20-12-14-33(15-13-20)18-26(28)35/h3-11,16-17,20H,12-15,18H2,1-2H3,(H2,28,35)(H,30,31)
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n/an/a 0.0900n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay

Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358895
PNG
(CHEMBL1923571)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)C(=O)N3CCOCC3)nn12
Show InChI InChI=1S/C24H23N5O3/c1-31-22-5-3-2-4-20(22)21-11-10-19-16-25-24(27-29(19)21)26-18-8-6-17(7-9-18)23(30)28-12-14-32-15-13-28/h2-11,16H,12-15H2,1H3,(H,26,27)
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n/an/a 0.170n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50353052
PNG
(CHEMBL1822515)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12
Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-20-11-12-22(30(20)27-24)21-5-3-4-6-23(21)31-2/h3-12,17H,13-16H2,1-2H3,(H,26,27)
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n/an/a 0.190n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50353052
PNG
(CHEMBL1822515)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12
Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)19-9-7-18(8-10-19)26-24-25-17-20-11-12-22(30(20)27-24)21-5-3-4-6-23(21)31-2/h3-12,17H,13-16H2,1-2H3,(H,26,27)
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n/an/a 0.190n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50353049
PNG
(CHEMBL1822511)
Show SMILES COc1cc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc(OC)c1OC
Show InChI InChI=1S/C21H20N4O3/c1-26-18-11-15(12-19(27-2)20(18)28-3)23-21-22-13-16-9-10-17(25(16)24-21)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay

Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50361210
PNG
(CHEMBL1934339)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12
Show InChI InChI=1S/C26H29N7O3S/c1-37(35,36)31-22-4-2-3-20(15-22)24-10-9-23-16-28-26(30-33(23)24)29-21-7-5-18(6-8-21)19-11-13-32(14-12-19)17-25(27)34/h2-10,15-16,19,31H,11-14,17H2,1H3,(H2,27,34)(H,29,30)
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n/an/a 0.220n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay

Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50361213
PNG
(CHEMBL1934342)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12
Show InChI InChI=1S/C26H28N6O3S/c1-36(34,35)23-9-4-20(5-10-23)24-11-8-22-16-28-26(30-32(22)24)29-21-6-2-18(3-7-21)19-12-14-31(15-13-19)17-25(27)33/h2-11,16,19H,12-15,17H2,1H3,(H2,27,33)(H,29,30)
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n/an/a 0.220n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay

Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358897
PNG
(CHEMBL1923573)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nn12
Show InChI InChI=1S/C23H23N5O2/c1-29-22-5-3-2-4-20(22)21-11-10-19-16-24-23(26-28(19)21)25-17-6-8-18(9-7-17)27-12-14-30-15-13-27/h2-11,16H,12-15H2,1H3,(H,25,26)
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n/an/a 0.230n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50361212
PNG
(CHEMBL1934341)
Show SMILES NC(=O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4cccc(CO)c4)n3n2)cc1
Show InChI InChI=1S/C26H28N6O2/c27-25(34)16-31-12-10-20(11-13-31)19-4-6-22(7-5-19)29-26-28-15-23-8-9-24(32(23)30-26)21-3-1-2-18(14-21)17-33/h1-9,14-15,20,33H,10-13,16-17H2,(H2,27,34)(H,29,30)
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n/an/a 0.270n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay

Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358912
PNG
(CHEMBL1923588)
Show SMILES COc1ccc(cn1)-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12
Show InChI InChI=1S/C23H25N7O/c1-28-11-13-29(14-12-28)19-6-4-18(5-7-19)26-23-25-16-20-8-9-21(30(20)27-23)17-3-10-22(31-2)24-15-17/h3-10,15-16H,11-14H2,1-2H3,(H,26,27)
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n/an/a 0.300n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358909
PNG
(CHEMBL1923585)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4cccc(c4)S(=O)(=O)NC(C)(C)C)n3n2)cc1
Show InChI InChI=1S/C27H33N7O2S/c1-27(2,3)31-37(35,36)24-7-5-6-20(18-24)25-13-12-23-19-28-26(30-34(23)25)29-21-8-10-22(11-9-21)33-16-14-32(4)15-17-33/h5-13,18-19,31H,14-17H2,1-4H3,(H,29,30)
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n/an/a 0.330n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358899
PNG
(CHEMBL1923575)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3cccc(c3)N3CCOCC3)nn12
Show InChI InChI=1S/C23H23N5O2/c1-29-22-8-3-2-7-20(22)21-10-9-19-16-24-23(26-28(19)21)25-17-5-4-6-18(15-17)27-11-13-30-14-12-27/h2-10,15-16H,11-14H2,1H3,(H,25,26)
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n/an/a 0.350n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358907
PNG
(CHEMBL1923583)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nn12
Show InChI InChI=1S/C24H25FN6O/c1-29-11-13-30(14-12-29)22-9-7-17(15-20(22)25)27-24-26-16-18-8-10-21(31(18)28-24)19-5-3-4-6-23(19)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,27,28)
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n/an/a 0.350n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358904
PNG
(CHEMBL1923580)
Show SMILES C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4cccc(c4)S(=O)(=O)NC(C)(C)C)n3n2)cc1F |r|
Show InChI InChI=1S/C29H36FN7O3S/c1-20(38)19-35-12-14-36(15-13-35)27-10-8-22(17-25(27)30)32-28-31-18-23-9-11-26(37(23)33-28)21-6-5-7-24(16-21)41(39,40)34-29(2,3)4/h5-11,16-18,20,34,38H,12-15,19H2,1-4H3,(H,32,33)/t20-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358914
PNG
(CHEMBL1923590)
Show SMILES COc1ccc(cn1)-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(Cl)c3)nn12
Show InChI InChI=1S/C23H24ClN7O/c1-29-9-11-30(12-10-29)21-6-4-17(13-19(21)24)27-23-26-15-18-5-7-20(31(18)28-23)16-3-8-22(32-2)25-14-16/h3-8,13-15H,9-12H2,1-2H3,(H,27,28)
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n/an/a 0.400n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358913
PNG
(CHEMBL1923589)
Show SMILES COc1ccc(cn1)-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nn12
Show InChI InChI=1S/C23H24FN7O/c1-29-9-11-30(12-10-29)21-6-4-17(13-19(21)24)27-23-26-15-18-5-7-20(31(18)28-23)16-3-8-22(32-2)25-14-16/h3-8,13-15H,9-12H2,1-2H3,(H,27,28)
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n/an/a 0.400n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358898
PNG
(CHEMBL1923574)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C[C@H](C)O)CC3)nn12 |r|
Show InChI InChI=1S/C26H30N6O2/c1-19(33)18-30-13-15-31(16-14-30)21-9-7-20(8-10-21)28-26-27-17-22-11-12-24(32(22)29-26)23-5-3-4-6-25(23)34-2/h3-12,17,19,33H,13-16,18H2,1-2H3,(H,28,29)/t19-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358894
PNG
(CHEMBL1923570)
Show SMILES COc1ccc(Nc2ncc3ccc(-c4ccccc4OC)n3n2)cc1
Show InChI InChI=1S/C20H18N4O2/c1-25-16-10-7-14(8-11-16)22-20-21-13-15-9-12-18(24(15)23-20)17-5-3-4-6-19(17)26-2/h3-13H,1-2H3,(H,22,23)
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n/an/a 0.5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358908
PNG
(CHEMBL1923584)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(Cl)c3)nn12
Show InChI InChI=1S/C24H25ClN6O/c1-29-11-13-30(14-12-29)22-9-7-17(15-20(22)25)27-24-26-16-18-8-10-21(31(18)28-24)19-5-3-4-6-23(19)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,27,28)
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n/an/a 0.5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358893
PNG
(CHEMBL1923594)
Show SMILES COc1ccc(cn1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(C[C@H](C)O)CC3)nn12 |r|
Show InChI InChI=1S/C26H30N6O2/c1-18(33)17-31-13-11-20(12-14-31)19-3-6-22(7-4-19)29-26-28-16-23-8-9-24(32(23)30-26)21-5-10-25(34-2)27-15-21/h3-10,15-16,18,20,33H,11-14,17H2,1-2H3,(H,29,30)/t18-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358903
PNG
(CHEMBL1923579)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C[C@H](C)O)CC4)c(F)c3)nn12 |r|
Show InChI InChI=1S/C26H29FN6O2/c1-18(34)17-31-11-13-32(14-12-31)24-9-7-19(15-22(24)27)29-26-28-16-20-8-10-23(33(20)30-26)21-5-3-4-6-25(21)35-2/h3-10,15-16,18,34H,11-14,17H2,1-2H3,(H,29,30)/t18-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363253
PNG
(CHEMBL1946804)
Show SMILES COc1cc(N2CCN(C)CC2)c2CCc3ccc(N(C)S(C)(=O)=O)c(Nc4nc(Nc1c2)ncc4Cl)c3
Show InChI InChI=1S/C26H32ClN7O3S/c1-32-9-11-34(12-10-32)23-15-24(37-3)21-14-18(23)7-5-17-6-8-22(33(2)38(4,35)36)20(13-17)29-25-19(27)16-28-26(30-21)31-25/h6,8,13-16H,5,7,9-12H2,1-4H3,(H2,28,29,30,31)
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n/an/a 0.510n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50361214
PNG
(CHEMBL1934343)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12
Show InChI InChI=1S/C26H28N6O3S/c1-36(34,35)23-4-2-3-20(15-23)24-10-9-22-16-28-26(30-32(22)24)29-21-7-5-18(6-8-21)19-11-13-31(14-12-19)17-25(27)33/h2-10,15-16,19H,11-14,17H2,1H3,(H2,27,33)(H,29,30)
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n/an/a 0.520n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay

Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358901
PNG
(CHEMBL1923577)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3cccc(c3)N3CCN(C[C@H](C)O)CC3)nn12 |r|
Show InChI InChI=1S/C26H30N6O2/c1-19(33)18-30-12-14-31(15-13-30)21-7-5-6-20(16-21)28-26-27-17-22-10-11-24(32(22)29-26)23-8-3-4-9-25(23)34-2/h3-11,16-17,19,33H,12-15,18H2,1-2H3,(H,28,29)/t19-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358891
PNG
(CHEMBL1923593)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)C3CCN(C[C@H](C)O)CC3)nn12 |r|
Show InChI InChI=1S/C27H31N5O2/c1-19(33)18-31-15-13-21(14-16-31)20-7-9-22(10-8-20)29-27-28-17-23-11-12-25(32(23)30-27)24-5-3-4-6-26(24)34-2/h3-12,17,19,21,33H,13-16,18H2,1-2H3,(H,29,30)/t19-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50361206
PNG
(CHEMBL1934335)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12
Show InChI InChI=1S/C26H28N6O2/c1-34-24-5-3-2-4-22(24)23-11-10-21-16-28-26(30-32(21)23)29-20-8-6-18(7-9-20)19-12-14-31(15-13-19)17-25(27)33/h2-11,16,19H,12-15,17H2,1H3,(H2,27,33)(H,29,30)
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n/an/a 0.600n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay

Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM99619
PNG
(CHEMBL2062807 | US8501936, 120)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(CN4CCS(=O)(=O)CC4)c3)nc12
Show InChI InChI=1S/C24H25N5O4S2/c1-34(30,31)21-9-7-19(8-10-21)22-6-3-11-29-23(22)26-24(27-29)25-20-5-2-4-18(16-20)17-28-12-14-35(32,33)15-13-28/h2-11,16H,12-15,17H2,1H3,(H,25,27)
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n/an/a 0.640n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...

J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50361208
PNG
(CHEMBL1934337)
Show SMILES CC(C)(C)NS(=O)(=O)c1cccc(c1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12
Show InChI InChI=1S/C29H35N7O3S/c1-29(2,3)34-40(38,39)25-6-4-5-22(17-25)26-12-11-24-18-31-28(33-36(24)26)32-23-9-7-20(8-10-23)21-13-15-35(16-14-21)19-27(30)37/h4-12,17-18,21,34H,13-16,19H2,1-3H3,(H2,30,37)(H,32,33)
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n/an/a 0.640n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay

Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM99563
PNG
(CHEMBL2062809 | US8501936, 61)
Show SMILES CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C25H27N5O2S/c1-29-15-12-18(13-16-29)20-5-3-6-21(17-20)26-25-27-24-23(7-4-14-30(24)28-25)19-8-10-22(11-9-19)33(2,31)32/h3-11,14,17-18H,12-13,15-16H2,1-2H3,(H,26,28)
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n/an/a 0.700n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...

J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50361209
PNG
(CHEMBL1934338)
Show SMILES COc1ccc(cn1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12
Show InChI InChI=1S/C25H27N7O2/c1-34-24-9-4-19(14-27-24)22-8-7-21-15-28-25(30-32(21)22)29-20-5-2-17(3-6-20)18-10-12-31(13-11-18)16-23(26)33/h2-9,14-15,18H,10-13,16H2,1H3,(H2,26,33)(H,29,30)
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n/an/a 0.770n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay

Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358900
PNG
(CHEMBL1923576)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3cccc(c3)N3CCN(C)CC3)nn12
Show InChI InChI=1S/C24H26N6O/c1-28-12-14-29(15-13-28)19-7-5-6-18(16-19)26-24-25-17-20-10-11-22(30(20)27-24)21-8-3-4-9-23(21)31-2/h3-11,16-17H,12-15H2,1-2H3,(H,26,27)
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n/an/a 0.800n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM99529
PNG
(CHEMBL2062802 | US8501936, 27)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCOCC3)nc12
Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-9-7-17(8-10-20)21-6-3-11-28-22(21)25-23(26-28)24-18-4-2-5-19(16-18)27-12-14-31-15-13-27/h2-11,16H,12-15H2,1H3,(H,24,26)
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n/an/a 0.800n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...

J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50389186
PNG
(CHEMBL2062803 | US8501936, 4)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)N3CCOCC3)nc12
Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-10-4-17(5-11-20)21-3-2-12-28-22(21)25-23(26-28)24-18-6-8-19(9-7-18)27-13-15-31-16-14-27/h2-12H,13-16H2,1H3,(H,24,26)
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n/an/a 0.900n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...

J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358890
PNG
(CHEMBL1923592)
Show SMILES C[C@H](O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)cc1 |r|
Show InChI InChI=1S/C28H34N6O3S/c1-20(35)19-33-16-14-22(15-17-33)21-8-10-23(11-9-21)30-28-29-18-24-12-13-27(34(24)31-28)25-6-4-5-7-26(25)32(2)38(3,36)37/h4-13,18,20,22,35H,14-17,19H2,1-3H3,(H,30,31)/t20-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50385593
PNG
(CHEMBL2042694)
Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
Show InChI InChI=1S/C22H23ClN6O3S/c1-24-33(31,32)19-8-4-3-7-17(19)27-21-16(23)13-25-22(28-21)26-15-10-11-18-14(12-15)6-5-9-20(30)29(18)2/h3-4,7-8,10-13,24H,5-6,9H2,1-2H3,(H2,25,26,27,28)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ALK

ACS Med Chem Lett 1: 493-498 (2010)


Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM50192705
PNG
(1-(2-fluoro-5-methylphenyl)-3-{19-methyl-14-oxo-3-...)
Show SMILES CCCn1c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C31H29FN6O2/c1-4-11-38-25-10-6-17(34-31(40)35-24-12-16(2)5-8-22(24)32)13-19(25)27-20-14-33-30(39)28(20)26-18(29(27)38)7-9-23-21(26)15-37(3)36-23/h5-6,8,10,12-13,15H,4,7,9,11,14H2,1-3H3,(H,33,39)(H2,34,35,40)
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n/an/a 1n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tie2

Bioorg Med Chem Lett 16: 5368-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.066
BindingDB Entry DOI: 10.7270/Q2SQ901V
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50193810
PNG
(CHEMBL3972653)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r|
Show InChI InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL


Assay Description
Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay

J Med Chem 59: 7478-96 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00487
BindingDB Entry DOI: 10.7270/Q2D79DC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358902
PNG
(CHEMBL1923578)
Show SMILES C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)cc1F |r|
Show InChI InChI=1S/C27H32FN7O3S/c1-19(36)18-33-12-14-34(15-13-33)26-10-8-20(16-23(26)28)30-27-29-17-21-9-11-25(35(21)31-27)22-6-4-5-7-24(22)32(2)39(3,37)38/h4-11,16-17,19,36H,12-15,18H2,1-3H3,(H,30,31)/t19-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358910
PNG
(CHEMBL1923586)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4cccc(c4)S(=O)(=O)NC(C)(C)C)n3n2)cc1F
Show InChI InChI=1S/C27H32FN7O2S/c1-27(2,3)32-38(36,37)22-7-5-6-19(16-22)24-11-9-21-18-29-26(31-35(21)24)30-20-8-10-25(23(28)17-20)34-14-12-33(4)13-15-34/h5-11,16-18,32H,12-15H2,1-4H3,(H,30,31)
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n/an/a 1n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50236266
PNG
(7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3,13,19,2...)
Show SMILES CO\N=C(/C)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C23H21N5O2/c1-11(27-30-3)12-4-6-17-14(8-12)20-15-9-24-23(29)21(15)19-13(22(20)25-17)5-7-18-16(19)10-28(2)26-18/h4,6,8,10,25H,5,7,9H2,1-3H3,(H,24,29)/b27-11+
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n/an/a 1n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 by HTRF assay

Bioorg Med Chem Lett 18: 1916-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.001
BindingDB Entry DOI: 10.7270/Q27M07PV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50236260
PNG
(7-[(1E)-1-(hydroxyimino)ethyl]-19-methyl-3,13,19,2...)
Show SMILES CC(N=O)c1ccc2[nH]c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C22H19N5O2/c1-10(26-29)11-3-5-16-13(7-11)19-14-8-23-22(28)20(14)18-12(21(19)24-16)4-6-17-15(18)9-27(2)25-17/h3,5,7,9-10,24H,4,6,8H2,1-2H3,(H,23,28)
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n/an/a 1n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 by HTRF assay

Bioorg Med Chem Lett 18: 1916-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.001
BindingDB Entry DOI: 10.7270/Q27M07PV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50236262
PNG
(7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3-propyl-...)
Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OC
Show InChI InChI=1S/C26H27N5O2/c1-5-10-31-21-9-6-15(14(2)29-33-4)11-17(21)23-18-12-27-26(32)24(18)22-16(25(23)31)7-8-20-19(22)13-30(3)28-20/h6,9,11,13H,5,7-8,10,12H2,1-4H3,(H,27,32)/b29-14+
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n/an/a 1n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM relative to control

Bioorg Med Chem Lett 18: 1916-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.001
BindingDB Entry DOI: 10.7270/Q27M07PV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50236262
PNG
(7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3-propyl-...)
Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OC
Show InChI InChI=1S/C26H27N5O2/c1-5-10-31-21-9-6-15(14(2)29-33-4)11-17(21)23-18-12-27-26(32)24(18)22-16(25(23)31)7-8-20-19(22)13-30(3)28-20/h6,9,11,13H,5,7-8,10,12H2,1-4H3,(H,27,32)/b29-14+
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n/an/a 1n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 by HTRF assay

Bioorg Med Chem Lett 18: 1916-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.001
BindingDB Entry DOI: 10.7270/Q27M07PV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM99559
PNG
(CHEMBL2062808 | US8501936, 57)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12
Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31)
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n/an/a 1.10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...

J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358906
PNG
(CHEMBL1923582)
Show SMILES CN(c1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(Cl)c3)nn12)S(C)(=O)=O
Show InChI InChI=1S/C25H28ClN7O2S/c1-30-12-14-32(15-13-30)24-10-8-18(16-21(24)26)28-25-27-17-19-9-11-23(33(19)29-25)20-6-4-5-7-22(20)31(2)36(3,34)35/h4-11,16-17H,12-15H2,1-3H3,(H,28,29)
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n/an/a 1.10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358916
PNG
(CHEMBL1923569)
Show SMILES C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)cc1 |r|
Show InChI InChI=1S/C27H33N7O3S/c1-20(35)19-32-14-16-33(17-15-32)22-10-8-21(9-11-22)29-27-28-18-23-12-13-26(34(23)30-27)24-6-4-5-7-25(24)31(2)38(3,36)37/h4-13,18,20,35H,14-17,19H2,1-3H3,(H,29,30)/t20-/m0/s1
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n/an/a 1.14n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358911
PNG
(CHEMBL1923587)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4cccc(c4)S(=O)(=O)NC(C)(C)C)n3n2)cc1Cl
Show InChI InChI=1S/C27H32ClN7O2S/c1-27(2,3)32-38(36,37)22-7-5-6-19(16-22)24-11-9-21-18-29-26(31-35(21)24)30-20-8-10-25(23(28)17-20)34-14-12-33(4)13-15-34/h5-11,16-18,32H,12-15H2,1-4H3,(H,30,31)
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n/an/a 1.20n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay

Bioorg Med Chem Lett 21: 7325-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.032
BindingDB Entry DOI: 10.7270/Q2GT5NM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM99555
PNG
(CHEMBL2062810 | US8501936, 53)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H30N6O2S/c1-19(2)35(33,34)23-11-9-20(10-12-23)24-8-5-13-32-25(24)28-26(29-32)27-21-6-4-7-22(18-21)31-16-14-30(3)15-17-31/h4-13,18-19H,14-17H2,1-3H3,(H,27,29)
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n/an/a 1.27n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...

J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
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