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Compile Data Set for Download or QSAR

Found 457 hits with Last Name = 'wells' and Initial = 'gj'   
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
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))		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))		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))		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))		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))		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))		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))		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))		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))		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
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))		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))		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))		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))		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))		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
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
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))		BDBM50358892
PNG
(CHEMBL1921819)
Show SMILES C[C@H](O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4cccc(c4)S(=O)(=O)NC(C)(C)C)n3n2)cc1 |r|
Show InChI InChI=1S/C30H38N6O3S/c1-21(37)20-35-16-14-23(15-17-35)22-8-10-25(11-9-22)32-29-31-19-26-12-13-28(36(26)33-29)24-6-5-7-27(18-24)40(38,39)34-30(2,3)4/h5-13,18-19,21,23,34,37H,14-17,20H2,1-4H3,(H,32,33)/t21-/m0/s1
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n/an/a 1.5n/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))		BDBM50353039
PNG
(CHEMBL1821735)
Show SMILES CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12)S(C)(=O)=O
Show InChI InChI=1S/C25H29N7O2S/c1-29-14-16-31(17-15-29)20-10-8-19(9-11-20)27-25-26-18-21-12-13-24(32(21)28-25)22-6-4-5-7-23(22)30(2)35(3,33)34/h4-13,18H,14-17H2,1-3H3,(H,27,28)
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n/an/a 1.60n/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
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50142284
PNG
(2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-...)
Show SMILES CCCCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)C1Cc2cc3OCCOc3cc2S(=O)(=O)N1CC
Show InChI InChI=1S/C27H33N3O7S/c1-3-5-11-28-27(33)25(31)20(14-18-9-7-6-8-10-18)29-26(32)21-15-19-16-22-23(37-13-12-36-22)17-24(19)38(34,35)30(21)4-2/h6-10,16-17,20-21H,3-5,11-15H2,1-2H3,(H,28,33)(H,29,32)/t20-,21?/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity tested against human calpain 1 in Molt-4 cells (intact human T-cell leukemia cell line)

Bioorg Med Chem Lett 14: 1035-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.037
BindingDB Entry DOI: 10.7270/Q27H1K45
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358896
PNG
(CHEMBL1923572)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)S(=O)(=O)N(C)C)nn12
Show InChI InChI=1S/C21H21N5O3S/c1-25(2)30(27,28)17-11-8-15(9-12-17)23-21-22-14-16-10-13-19(26(16)24-21)18-6-4-5-7-20(18)29-3/h4-14H,1-3H3,(H,23,24)
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n/an/a 2.10n/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
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50393620
PNG
(CHEMBL2158531)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@H](O)CO)CC1 |r|
Show InChI InChI=1S/C28H33N5O4/c1-36-26-6-4-3-5-23(26)25-10-8-21-16-29-28(31-33(21)25)30-24-9-7-20(15-27(24)37-2)19-11-13-32(14-12-19)17-22(35)18-34/h3-10,15-16,19,22,34-35H,11-14,17-18H2,1-2H3,(H,30,31)/t22-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...

J Med Chem 55: 115-25 (2012)


Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50393619
PNG
(CHEMBL2158530)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(O)CF)CC1
Show InChI InChI=1S/C28H32FN5O3/c1-36-26-6-4-3-5-23(26)25-10-8-21-17-30-28(32-34(21)25)31-24-9-7-20(15-27(24)37-2)19-11-13-33(14-12-19)18-22(35)16-29/h3-10,15,17,19,22,35H,11-14,16,18H2,1-2H3,(H,31,32)
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n/an/a 3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...

J Med Chem 55: 115-25 (2012)


Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50393618
PNG
(CHEMBL2158528)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@@H](C)O)CC1 |r|
Show InChI InChI=1S/C28H33N5O3/c1-19(34)18-32-14-12-20(13-15-32)21-8-10-24(27(16-21)36-3)30-28-29-17-22-9-11-25(33(22)31-28)23-6-4-5-7-26(23)35-2/h4-11,16-17,19-20,34H,12-15,18H2,1-3H3,(H,30,31)/t19-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...

J Med Chem 55: 115-25 (2012)


Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50358905
PNG
(CHEMBL1923581)
Show SMILES CN(c1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nn12)S(C)(=O)=O
Show InChI InChI=1S/C25H28FN7O2S/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 3.70n/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))		BDBM50353042
PNG
(CHEMBL1822521)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@@H](C)O)CC1 |r|
Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method

J Med Chem 54: 6328-41 (2011)


Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50285198
PNG
(CHEMBL67131 | [(5S,11S,14S)-21-Fluoro-11-(3-guanid...)
Show SMILES CC(C)[C@@H]1NC(=O)c2cccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O)c2F
Show InChI InChI=1S/C26H37FN8O7/c1-13(2)21-25(42)35(3)17(8-5-9-30-26(28)29)24(41)32-12-18(36)33-16(10-19(37)38)23(40)31-11-14-6-4-7-15(20(14)27)22(39)34-21/h4,6-7,13,16-17,21H,5,8-12H2,1-3H3,(H,31,40)(H,32,41)(H,33,36)(H,34,39)(H,37,38)(H4,28,29,30)/t16-,17-,21-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using human platelet rich plasma (hPRP) assay (200microL, 2-3 x 10e 8 platelets/mL, n=1)

Bioorg Med Chem Lett 5: 2097-2100 (1995)


Article DOI: 10.1016/0960-894X(95)00351-S
BindingDB Entry DOI: 10.7270/Q28G8KNH
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50393617
PNG
(CHEMBL2158519)
Show SMILES COc1cc(ccc1Nc1ncc2c(Cl)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
Show InChI InChI=1S/C28H32ClN7O4S/c1-34(41(3,38)39)23-7-5-4-6-20(23)24-15-21(29)25-16-31-28(33-36(24)25)32-22-9-8-19(14-26(22)40-2)18-10-12-35(13-11-18)17-27(30)37/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,30,37)(H,32,33)
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n/an/a 4.70n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...

J Med Chem 55: 115-25 (2012)


Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50142302
PNG
(6-Chloro-2-ethyl-1,1-dioxo-1,2,3,4-tetrahydro-1lam...)
Show SMILES CCN1C(Cc2cc(Cl)ccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C20H21ClN2O4S/c1-2-23-18(12-15-11-16(21)8-9-19(15)28(23,26)27)20(25)22-17(13-24)10-14-6-4-3-5-7-14/h3-9,11,13,17-18H,2,10,12H2,1H3,(H,22,25)/t17-,18?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human calpain I; Not determined

Bioorg Med Chem Lett 14: 1035-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.037
BindingDB Entry DOI: 10.7270/Q27H1K45
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50105236
PNG
(6-Chloro-2-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1la...)
Show SMILES CN1C(Cc2cc(Cl)ccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C19H19ClN2O4S/c1-22-17(11-14-10-15(20)7-8-18(14)27(22,25)26)19(24)21-16(12-23)9-13-5-3-2-4-6-13/h2-8,10,12,16-17H,9,11H2,1H3,(H,21,24)/t16-,17?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity towards human calpain I

J Med Chem 44: 3488-503 (2001)


BindingDB Entry DOI: 10.7270/Q2G44PKR
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50353041
PNG
(CHEMBL1822520)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@H](C)O)CC1 |r|
Show InChI InChI=1S/C27H32N6O3/c1-19(34)18-31-12-14-32(15-13-31)20-8-10-23(26(16-20)36-3)29-27-28-17-21-9-11-24(33(21)30-27)22-6-4-5-7-25(22)35-2/h4-11,16-17,19,34H,12-15,18H2,1-3H3,(H,29,30)/t19-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method

J Med Chem 54: 6328-41 (2011)


Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50285199
PNG
(CHEMBL65617 | DMP-757 | [(5S,11S,14S)-11-(3-Guanid...)
Show SMILES CC(C)[C@@H]1NC(=O)c2cccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)N(C)C1=O)c2
Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)34(3)18(8-5-9-29-26(27)28)24(40)31-13-19(35)32-17(11-20(36)37)23(39)30-12-15-6-4-7-16(10-15)22(38)33-21/h4,6-7,10,14,17-18,21H,5,8-9,11-13H2,1-3H3,(H,30,39)(H,31,40)(H,32,35)(H,33,38)(H,36,37)(H4,27,28,29)/t17-,18-,21-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using human platelet rich plasma (hPRP) assay (200microL, 2-3 x 10e 8 platelets/mL, n=1)

Bioorg Med Chem Lett 5: 2097-2100 (1995)


Article DOI: 10.1016/0960-894X(95)00351-S
BindingDB Entry DOI: 10.7270/Q28G8KNH
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50393613
PNG
(CHEMBL2158518)
Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
Show InChI InChI=1S/C29H35N7O4S/c1-19-15-25(22-7-5-6-8-24(22)34(2)41(4,38)39)36-26(19)17-31-29(33-36)32-23-10-9-21(16-27(23)40-3)20-11-13-35(14-12-20)18-28(30)37/h5-10,15-17,20H,11-14,18H2,1-4H3,(H2,30,37)(H,32,33)
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...

J Med Chem 55: 115-25 (2012)


Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50361205
PNG
(CHEMBL1934334)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(N)=O)CC1
Show InChI InChI=1S/C27H30N6O3/c1-35-24-6-4-3-5-21(24)23-10-8-20-16-29-27(31-33(20)23)30-22-9-7-19(15-25(22)36-2)18-11-13-32(14-12-18)17-26(28)34/h3-10,15-16,18H,11-14,17H2,1-2H3,(H2,28,34)(H,30,31)
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...

J Med Chem 55: 115-25 (2012)


Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50105229
PNG
(2-Methyl-1,1-dioxo-1,2,6,7-tetrahydro-5,8-dioxa-1l...)
Show SMILES CN1C(=Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O |c:2|
Show InChI InChI=1S/C21H20N2O6S/c1-23-17(21(25)22-16(13-24)9-14-5-3-2-4-6-14)10-15-11-18-19(29-8-7-28-18)12-20(15)30(23,26)27/h2-6,10-13,16H,7-9H2,1H3,(H,22,25)/t16-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity towards human calpain I

J Med Chem 44: 3488-503 (2001)


BindingDB Entry DOI: 10.7270/Q2G44PKR
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50393615
PNG
(CHEMBL2158526)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(C[C@@H](C)O)CC1 |r|
Show InChI InChI=1S/C29H36N6O4S/c1-20(36)19-34-15-13-21(14-16-34)22-9-11-25(28(17-22)39-3)31-29-30-18-23-10-12-27(35(23)32-29)24-7-5-6-8-26(24)33(2)40(4,37)38/h5-12,17-18,20-21,36H,13-16,19H2,1-4H3,(H,31,32)/t20-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...

J Med Chem 55: 115-25 (2012)


Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50393616
PNG
(CHEMBL2158525)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CCO)CC1
Show InChI InChI=1S/C28H34N6O4S/c1-32(39(3,36)37)25-7-5-4-6-23(25)26-11-9-22-19-29-28(31-34(22)26)30-24-10-8-21(18-27(24)38-2)20-12-14-33(15-13-20)16-17-35/h4-11,18-20,35H,12-17H2,1-3H3,(H,30,31)
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...

J Med Chem 55: 115-25 (2012)


Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50393614
PNG
(CHEMBL2158529)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)C3CCN(C)CC3)nn12
Show InChI InChI=1S/C26H29N5O2/c1-30-14-12-18(13-15-30)19-8-10-22(25(16-19)33-3)28-26-27-17-20-9-11-23(31(20)29-26)21-6-4-5-7-24(21)32-2/h4-11,16-18H,12-15H2,1-3H3,(H,28,29)
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...

J Med Chem 55: 115-25 (2012)


Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50142283
PNG
(1,1-Dioxo-1,2,3,4-tetrahydro-1lambda*6*-benzo[e][1...)
Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2S(=O)(=O)N1
Show InChI InChI=1S/C18H18N2O4S/c21-12-15(10-13-6-2-1-3-7-13)19-18(22)16-11-14-8-4-5-9-17(14)25(23,24)20-16/h1-9,12,15-16,20H,10-11H2,(H,19,22)/t15-,16?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human calpain 1

Bioorg Med Chem Lett 14: 1035-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.037
BindingDB Entry DOI: 10.7270/Q27H1K45
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))		BDBM50105231
PNG
((3S) 2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-d...)
Show SMILES CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C22H24N2O6S/c1-2-24-18(22(26)23-17(14-25)10-15-6-4-3-5-7-15)11-16-12-19-20(30-9-8-29-19)13-21(16)31(24,27)28/h3-7,12-14,17-18H,2,8-11H2,1H3,(H,23,26)/t17-,18?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human calpain 1

Bioorg Med Chem Lett 14: 1035-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.037
BindingDB Entry DOI: 10.7270/Q27H1K45
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50393612
PNG
(CHEMBL2158586)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC1)C(=O)C(C)(C)N
Show InChI InChI=1S/C29H34N6O3/c1-29(2,30)27(36)34-15-13-19(14-16-34)20-9-11-23(26(17-20)38-4)32-28-31-18-21-10-12-24(35(21)33-28)22-7-5-6-8-25(22)37-3/h5-12,17-19H,13-16,30H2,1-4H3,(H,32,33)
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n/an/a 7n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra...

J Med Chem 55: 115-25 (2012)


Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50353039
PNG
(CHEMBL1821735)
Show SMILES CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12)S(C)(=O)=O
Show InChI InChI=1S/C25H29N7O2S/c1-29-14-16-31(17-15-29)20-10-8-19(9-11-20)27-25-26-18-21-12-13-24(32(21)28-25)22-6-4-5-7-23(22)30(2)35(3,33)34/h4-13,18H,14-17H2,1-3H3,(H,27,28)
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Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method

J Med Chem 54: 6328-41 (2011)


Article DOI: 10.1021/jm200758k
BindingDB Entry DOI: 10.7270/Q2VQ331F
More data for this
Ligand-Target Pair
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