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PubMed code 26258521

Compile data set for download or QSAR
Found 104 hits of Enzyme Inhibition Constant Data   
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 JAK3


(Homo sapiens (Human))
BDBM50109428
PNG
(CHEMBL3601110)
Show SMILES FC(F)(F)CNC(=O)Cn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C21H20ClF3N8O2/c1-2-17(34)30-14-5-3-4-13(6-14)7-26-19-16(22)9-27-20(32-19)31-15-8-29-33(10-15)11-18(35)28-12-21(23,24)25/h2-6,8-10H,1,7,11-12H2,(H,28,35)(H,30,34)(H2,26,27,31,32)
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n/an/a 0.5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109427
PNG
(CHEMBL3601109)
Show SMILES CNC(=O)Cn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C20H21ClN8O2/c1-3-17(30)26-14-6-4-5-13(7-14)8-23-19-16(21)10-24-20(28-19)27-15-9-25-29(11-15)12-18(31)22-2/h3-7,9-11H,1,8,12H2,2H3,(H,22,31)(H,26,30)(H2,23,24,27,28)
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n/an/a<0.5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109528
PNG
(CHEMBL3601115)
Show SMILES COCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C20H22ClN7O2/c1-3-18(29)25-15-6-4-5-14(9-15)10-22-19-17(21)12-23-20(27-19)26-16-11-24-28(13-16)7-8-30-2/h3-6,9,11-13H,1,7-8,10H2,2H3,(H,25,29)(H2,22,23,26,27)
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n/an/a<0.5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109424
PNG
(CHEMBL3601107)
Show SMILES FC(F)Cn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C19H18ClF2N7O/c1-2-17(30)26-13-5-3-4-12(6-13)7-23-18-15(20)9-24-19(28-18)27-14-8-25-29(10-14)11-16(21)22/h2-6,8-10,16H,1,7,11H2,(H,26,30)(H2,23,24,27,28)
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n/an/a<0.5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109490
PNG
(CHEMBL3601117)
Show SMILES CC(C)OCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C22H26ClN7O2/c1-4-20(31)27-17-7-5-6-16(10-17)11-24-21-19(23)13-25-22(29-21)28-18-12-26-30(14-18)8-9-32-15(2)3/h4-7,10,12-15H,1,8-9,11H2,2-3H3,(H,27,31)(H2,24,25,28,29)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109433
PNG
(CHEMBL3601116)
Show SMILES CCOCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C21H24ClN7O2/c1-3-19(30)26-16-7-5-6-15(10-16)11-23-20-18(22)13-24-21(28-20)27-17-12-25-29(14-17)8-9-31-4-2/h3,5-7,10,12-14H,1,4,8-9,11H2,2H3,(H,26,30)(H2,23,24,27,28)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109426
PNG
(CHEMBL3600393)
Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C24H27ClN8O2/c1-3-22(35)29-18-6-4-5-17(11-18)12-26-23-21(25)14-27-24(31-23)30-19-13-28-33(15-19)20-7-9-32(10-8-20)16(2)34/h3-6,11,13-15,20H,1,7-10,12H2,2H3,(H,29,35)(H2,26,27,30,31)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109527
PNG
(CHEMBL3601120)
Show SMILES OCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C19H20ClN7O2/c1-2-17(29)24-14-5-3-4-13(8-14)9-21-18-16(20)11-22-19(26-18)25-15-10-23-27(12-15)6-7-28/h2-5,8,10-12,28H,1,6-7,9H2,(H,24,29)(H2,21,22,25,26)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109431
PNG
(CHEMBL3601113)
Show SMILES CN(C)CCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C21H25ClN8O/c1-4-19(31)26-16-7-5-6-15(10-16)11-23-20-18(22)13-24-21(28-20)27-17-12-25-30(14-17)9-8-29(2)3/h4-7,10,12-14H,1,8-9,11H2,2-3H3,(H,26,31)(H2,23,24,27,28)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109432
PNG
(CHEMBL3601114)
Show SMILES Clc1cnc(Nc2cnn(CCN3CCOCC3)c2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H27ClN8O2/c1-2-21(33)28-18-5-3-4-17(12-18)13-25-22-20(24)15-26-23(30-22)29-19-14-27-32(16-19)7-6-31-8-10-34-11-9-31/h2-5,12,14-16H,1,6-11,13H2,(H,28,33)(H2,25,26,29,30)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109502
PNG
(CHEMBL3601706)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NCc3ccc(NC(=O)C=C)cc3)n2)cn1
Show InChI InChI=1S/C18H18ClN7O/c1-3-16(27)23-13-6-4-12(5-7-13)8-20-17-15(19)10-21-18(25-17)24-14-9-22-26(2)11-14/h3-7,9-11H,1,8H2,2H3,(H,23,27)(H2,20,21,24,25)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109430
PNG
(CHEMBL3601112)
Show SMILES Clc1cnc(Nc2cnn(CC(=O)N3CCOCC3)c2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H25ClN8O3/c1-2-20(33)28-17-5-3-4-16(10-17)11-25-22-19(24)13-26-23(30-22)29-18-12-27-32(14-18)15-21(34)31-6-8-35-9-7-31/h2-5,10,12-14H,1,6-9,11,15H2,(H,28,33)(H2,25,26,29,30)
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n/an/a 0.600n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109529
PNG
(CHEMBL3601242)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C18H18ClN7O/c1-3-16(27)23-13-6-4-5-12(7-13)8-20-17-15(19)10-21-18(25-17)24-14-9-22-26(2)11-14/h3-7,9-11H,1,8H2,2H3,(H,23,27)(H2,20,21,24,25)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109493
PNG
(CHEMBL3601121)
Show SMILES CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C21H24ClN7O2/c1-4-18(30)26-15-7-5-6-14(8-15)9-23-19-17(22)11-24-20(28-19)27-16-10-25-29(12-16)13-21(2,3)31/h4-8,10-12,31H,1,9,13H2,2-3H3,(H,26,30)(H2,23,24,27,28)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109492
PNG
(CHEMBL3601119)
Show SMILES COCC(C)(C)n1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C22H26ClN7O2/c1-5-19(31)27-16-8-6-7-15(9-16)10-24-20-18(23)12-25-21(29-20)28-17-11-26-30(13-17)22(2,3)14-32-4/h5-9,11-13H,1,10,14H2,2-4H3,(H,27,31)(H2,24,25,28,29)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109509
PNG
(CHEMBL3601713)
Show SMILES CN(Cc1cccc(NC(=O)C=C)c1)c1nc(Nc2cnn(C)c2)ncc1Cl
Show InChI InChI=1S/C19H20ClN7O/c1-4-17(28)23-14-7-5-6-13(8-14)11-26(2)18-16(20)10-21-19(25-18)24-15-9-22-27(3)12-15/h4-10,12H,1,11H2,2-3H3,(H,23,28)(H,21,24,25)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109491
PNG
(CHEMBL3601118)
Show SMILES FC(F)OCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C20H20ClF2N7O2/c1-2-17(31)27-14-5-3-4-13(8-14)9-24-18-16(21)11-25-20(29-18)28-15-10-26-30(12-15)6-7-32-19(22)23/h2-5,8,10-12,19H,1,6-7,9H2,(H,27,31)(H2,24,25,28,29)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109519
PNG
(CHEMBL3601723)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccn(Cc4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C27H29N7O/c1-3-25(35)29-23-6-4-5-20(17-23)19-34-12-11-21-18-28-27(31-26(21)34)30-22-7-9-24(10-8-22)33-15-13-32(2)14-16-33/h3-12,17-18H,1,13-16,19H2,2H3,(H,29,35)(H,28,30,31)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109425
PNG
(CHEMBL3601108)
Show SMILES Clc1cnc(Nc2cnn(c2)C2CCOCC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C22H24ClN7O2/c1-2-20(31)27-16-5-3-4-15(10-16)11-24-21-19(23)13-25-22(29-21)28-17-12-26-30(14-17)18-6-8-32-9-7-18/h2-5,10,12-14,18H,1,6-9,11H2,(H,27,31)(H2,24,25,28,29)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109501
PNG
(CHEMBL3601705)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1ccc(NC(=O)C=C)cc1
Show InChI InChI=1S/C24H25ClN6O2/c1-2-22(32)28-18-5-3-17(4-6-18)15-26-23-21(25)16-27-24(30-23)29-19-7-9-20(10-8-19)31-11-13-33-14-12-31/h2-10,16H,1,11-15H2,(H,28,32)(H2,26,27,29,30)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109522
PNG
(CHEMBL3601726)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CNC(=O)N(Cc4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C27H30N8O2/c1-3-24(36)30-22-6-4-5-19(15-22)18-35-25-20(17-29-27(35)37)16-28-26(32-25)31-21-7-9-23(10-8-21)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14,17-18H2,2H3,(H,29,37)(H,30,36)(H,28,31,32)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109413
PNG
(CHEMBL3601233)
Show SMILES Fc1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)ccc1N1CCOCC1
Show InChI InChI=1S/C24H24ClFN6O2/c1-2-22(33)29-17-5-3-4-16(12-17)14-27-23-19(25)15-28-24(31-23)30-18-6-7-21(20(26)13-18)32-8-10-34-11-9-32/h2-7,12-13,15H,1,8-11,14H2,(H,29,33)(H2,27,28,30,31)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109408
PNG
(CHEMBL3601227)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc1F
Show InChI InChI=1S/C25H27ClFN7O/c1-3-23(35)30-18-6-4-5-17(13-18)15-28-24-20(26)16-29-25(32-24)31-19-7-8-22(21(27)14-19)34-11-9-33(2)10-12-34/h3-8,13-14,16H,1,9-12,15H2,2H3,(H,30,35)(H2,28,29,31,32)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109429
PNG
(CHEMBL3601111)
Show SMILES CN(C)C(=O)Cn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C21H23ClN8O2/c1-4-18(31)26-15-7-5-6-14(8-15)9-23-20-17(22)11-24-21(28-20)27-16-10-25-30(12-16)13-19(32)29(2)3/h4-8,10-12H,1,9,13H2,2-3H3,(H,26,31)(H2,23,24,27,28)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109407
PNG
(CHEMBL3601226)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc1
Show InChI InChI=1S/C25H28ClN7O/c1-3-23(34)29-20-6-4-5-18(15-20)16-27-24-22(26)17-28-25(31-24)30-19-7-9-21(10-8-19)33-13-11-32(2)12-14-33/h3-10,15,17H,1,11-14,16H2,2H3,(H,29,34)(H2,27,28,30,31)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109508
PNG
(CHEMBL3601712)
Show SMILES Cn1cc(Nc2ncc(Cl)c(SCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C18H17ClN6OS/c1-3-16(26)22-13-6-4-5-12(7-13)11-27-17-15(19)9-20-18(24-17)23-14-8-21-25(2)10-14/h3-10H,1,11H2,2H3,(H,22,26)(H,20,23,24)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109504
PNG
(CHEMBL3601708)
Show SMILES COCCn1cc(Nc2ncc(Cl)c(NCc3ccc(NC(=O)C=C)cc3)n2)cn1
Show InChI InChI=1S/C20H22ClN7O2/c1-3-18(29)25-15-6-4-14(5-7-15)10-22-19-17(21)12-23-20(27-19)26-16-11-24-28(13-16)8-9-30-2/h3-7,11-13H,1,8-10H2,2H3,(H,25,29)(H2,22,23,26,27)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109531
PNG
(CHEMBL3601231)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H25ClN6O2/c1-2-22(32)28-19-5-3-4-17(14-19)15-26-23-21(25)16-27-24(30-23)29-18-6-8-20(9-7-18)31-10-12-33-13-11-31/h2-9,14,16H,1,10-13,15H2,(H,28,32)(H2,26,27,29,30)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109423
PNG
(CHEMBL3601106)
Show SMILES FC(F)n1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C18H16ClF2N7O/c1-2-15(29)25-12-5-3-4-11(6-12)7-22-16-14(19)9-23-18(27-16)26-13-8-24-28(10-13)17(20)21/h2-6,8-10,17H,1,7H2,(H,25,29)(H2,22,23,26,27)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109412
PNG
(CHEMBL3601232)
Show SMILES Fc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCOCC1
Show InChI InChI=1S/C24H24ClFN6O2/c1-2-22(33)29-17-5-3-4-16(12-17)14-27-23-19(25)15-28-24(31-23)30-21-7-6-18(13-20(21)26)32-8-10-34-11-9-32/h2-7,12-13,15H,1,8-11,14H2,(H,29,33)(H2,27,28,30,31)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109506
PNG
(CHEMBL3601710)
Show SMILES COCCn1cc(Nc2ncc(Cl)c(NC(C)c3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C21H24ClN7O2/c1-4-19(30)26-16-7-5-6-15(10-16)14(2)25-20-18(22)12-23-21(28-20)27-17-11-24-29(13-17)8-9-31-3/h4-7,10-14H,1,8-9H2,2-3H3,(H,26,30)(H2,23,25,27,28)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109421
PNG
(CHEMBL3601243)
Show SMILES Cc1nn(C)cc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C19H20ClN7O/c1-4-17(28)23-14-7-5-6-13(8-14)9-21-18-15(20)10-22-19(25-18)24-16-11-27(3)26-12(16)2/h4-8,10-11H,1,9H2,2-3H3,(H,23,28)(H2,21,22,24,25)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109409
PNG
(CHEMBL3601228)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc1Cl
Show InChI InChI=1S/C25H27Cl2N7O/c1-3-23(35)30-18-6-4-5-17(13-18)15-28-24-21(27)16-29-25(32-24)31-19-7-8-22(20(26)14-19)34-11-9-33(2)10-12-34/h3-8,13-14,16H,1,9-12,15H2,2H3,(H,30,35)(H2,28,29,31,32)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109503
PNG
(CHEMBL3601707)
Show SMILES CNC(=O)Cn1cc(Nc2ncc(Cl)c(NCc3ccc(NC(=O)C=C)cc3)n2)cn1
Show InChI InChI=1S/C20H21ClN8O2/c1-3-17(30)26-14-6-4-13(5-7-14)8-23-19-16(21)10-24-20(28-19)27-15-9-25-29(11-15)12-18(31)22-2/h3-7,9-11H,1,8,12H2,2H3,(H,22,31)(H,26,30)(H2,23,24,27,28)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109526
PNG
(CHEMBL3601862)
Show SMILES Clc1cnc(Nc2cnn(CCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C35H47ClN10O6S/c1-2-30(47)41-25-7-5-6-24(18-25)19-38-33-27(36)21-39-34(45-33)42-26-20-40-46(22-26)11-13-51-15-17-52-16-14-50-12-10-37-31(48)9-4-3-8-29-32-28(23-53-29)43-35(49)44-32/h2,5-7,18,20-22,28-29,32H,1,3-4,8-17,19,23H2,(H,37,48)(H,41,47)(H2,43,44,49)(H2,38,39,42,45)/t28-,29-,32-/m0/s1
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109511
PNG
(CHEMBL3601715)
Show SMILES COc1cc(ccc1Nc1ncc(Br)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30BrN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109422
PNG
(CHEMBL3601244)
Show SMILES Clc1cnc(Nc2cnoc2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C17H15ClN6O2/c1-2-15(25)22-12-5-3-4-11(6-12)7-19-16-14(18)9-20-17(24-16)23-13-8-21-26-10-13/h2-6,8-10H,1,7H2,(H,22,25)(H2,19,20,23,24)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109415
PNG
(CHEMBL3601236)
Show SMILES CC(=O)N1CCN(CC1)c1c(F)cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc1F
Show InChI InChI=1S/C26H26ClF2N7O2/c1-3-23(38)32-18-6-4-5-17(11-18)14-30-25-20(27)15-31-26(34-25)33-19-12-21(28)24(22(29)13-19)36-9-7-35(8-10-36)16(2)37/h3-6,11-13,15H,1,7-10,14H2,2H3,(H,32,38)(H2,30,31,33,34)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109499
PNG
(CHEMBL3601127)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NCc3ccc(F)c(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C18H17ClFN7O/c1-3-16(28)25-15-6-11(4-5-14(15)20)7-21-17-13(19)9-22-18(26-17)24-12-8-23-27(2)10-12/h3-6,8-10H,1,7H2,2H3,(H,25,28)(H2,21,22,24,26)
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n/an/a 4.40n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109411
PNG
(CHEMBL3601230)
Show SMILES CN1CCN(CC1)c1cc(F)c(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc1F
Show InChI InChI=1S/C25H26ClF2N7O/c1-3-23(36)31-17-6-4-5-16(11-17)14-29-24-18(26)15-30-25(33-24)32-21-12-20(28)22(13-19(21)27)35-9-7-34(2)8-10-35/h3-6,11-13,15H,1,7-10,14H2,2H3,(H,31,36)(H2,29,30,32,33)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109532
PNG
(CHEMBL3601223)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109414
PNG
(CHEMBL3601234)
Show SMILES Fc1cc(N2CCOCC2)c(F)cc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C24H23ClF2N6O2/c1-2-22(34)30-16-5-3-4-15(10-16)13-28-23-17(25)14-29-24(32-23)31-20-11-19(27)21(12-18(20)26)33-6-8-35-9-7-33/h2-5,10-12,14H,1,6-9,13H2,(H,30,34)(H2,28,29,31,32)
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n/an/a 5.20n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109417
PNG
(CHEMBL3601238)
Show SMILES Fc1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc(F)c1OCCN1CCOCC1
Show InChI InChI=1S/C26H27ClF2N6O3/c1-2-23(36)32-18-5-3-4-17(12-18)15-30-25-20(27)16-31-26(34-25)33-19-13-21(28)24(22(29)14-19)38-11-8-35-6-9-37-10-7-35/h2-5,12-14,16H,1,6-11,15H2,(H,32,36)(H2,30,31,33,34)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109505
PNG
(CHEMBL3601709)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NC(C)c2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H32ClN7O2/c1-5-25(36)31-20-8-6-7-19(15-20)18(2)30-26-22(28)17-29-27(33-26)32-23-10-9-21(16-24(23)37-4)35-13-11-34(3)12-14-35/h5-10,15-18H,1,11-14H2,2-4H3,(H,31,36)(H2,29,30,32,33)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109523
PNG
(CHEMBL3601727)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CN(C)C(=O)N(Cc4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C28H32N8O2/c1-4-25(37)30-23-7-5-6-20(16-23)18-36-26-21(19-34(3)28(36)38)17-29-27(32-26)31-22-8-10-24(11-9-22)35-14-12-33(2)13-15-35/h4-11,16-17H,1,12-15,18-19H2,2-3H3,(H,30,37)(H,29,31,32)
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n/an/a 7n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109416
PNG
(CHEMBL3601237)
Show SMILES OC1CCN(CC1)c1c(F)cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc1F
Show InChI InChI=1S/C25H25ClF2N6O2/c1-2-22(36)31-16-5-3-4-15(10-16)13-29-24-19(26)14-30-25(33-24)32-17-11-20(27)23(21(28)12-17)34-8-6-18(35)7-9-34/h2-5,10-12,14,18,35H,1,6-9,13H2,(H,31,36)(H2,29,30,32,33)
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n/an/a 7.40n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109495
PNG
(CHEMBL3601123)
Show SMILES COCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C(C)=C)c3)n2)cn1
Show InChI InChI=1S/C21H24ClN7O2/c1-14(2)20(30)26-16-6-4-5-15(9-16)10-23-19-18(22)12-24-21(28-19)27-17-11-25-29(13-17)7-8-31-3/h4-6,9,11-13H,1,7-8,10H2,2-3H3,(H,26,30)(H2,23,24,27,28)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109518
PNG
(CHEMBL3601722)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(NCc3cccc(NC(=O)C=C)c3)ncn2)cc1
Show InChI InChI=1S/C25H29N7O/c1-3-25(33)30-21-6-4-5-19(15-21)17-26-23-16-24(28-18-27-23)29-20-7-9-22(10-8-20)32-13-11-31(2)12-14-32/h3-10,15-16,18H,1,11-14,17H2,2H3,(H,30,33)(H2,26,27,28,29)
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n/an/a 9.90n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50109527
PNG
(CHEMBL3601120)
Show SMILES OCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C19H20ClN7O2/c1-2-17(29)24-14-5-3-4-13(8-14)9-21-18-16(20)11-22-19(26-18)25-15-10-23-27(12-15)6-7-28/h2-5,8,10-12,28H,1,6-7,9H2,(H,24,29)(H2,21,22,25,26)
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n/an/a 11n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109507
PNG
(CHEMBL3601711)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(SCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29ClN6O2S/c1-4-24(34)29-19-7-5-6-18(14-19)17-36-25-21(27)16-28-26(31-25)30-22-9-8-20(15-23(22)35-3)33-12-10-32(2)11-13-33/h4-9,14-16H,1,10-13,17H2,2-3H3,(H,29,34)(H,28,30,31)
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n/an/a 12n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50109532
PNG
(CHEMBL3601223)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 13n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109521
PNG
(CHEMBL3601725)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)N(Cc2cccc(NC(=O)C=C)c2)C(=O)C3(C)C)cc1
Show InChI InChI=1S/C29H33N7O2/c1-5-25(37)31-22-8-6-7-20(17-22)19-36-26-24(29(2,3)27(36)38)18-30-28(33-26)32-21-9-11-23(12-10-21)35-15-13-34(4)14-16-35/h5-12,17-18H,1,13-16,19H2,2-4H3,(H,31,37)(H,30,32,33)
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n/an/a 17n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109512
PNG
(CHEMBL3601716)
Show SMILES COc1cc(ccc1Nc1ncc(c(NCc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(C)CC1
Show InChI InChI=1S/C27H30F3N7O2/c1-4-24(38)33-19-7-5-6-18(14-19)16-31-25-21(27(28,29)30)17-32-26(35-25)34-22-9-8-20(15-23(22)39-3)37-12-10-36(2)11-13-37/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,33,38)(H2,31,32,34,35)
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n/an/a 18n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50109531
PNG
(CHEMBL3601231)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H25ClN6O2/c1-2-22(32)28-19-5-3-4-17(14-19)15-26-23-21(25)16-27-24(30-23)29-18-6-8-20(9-7-18)31-10-12-33-13-11-31/h2-9,14,16H,1,10-13,15H2,(H,28,32)(H2,26,27,29,30)
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n/an/a 18n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109530
PNG
(CHEMBL3601235)
Show SMILES Fc1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc(F)c1N1CCOCC1
Show InChI InChI=1S/C24H23ClF2N6O2/c1-2-21(34)30-16-5-3-4-15(10-16)13-28-23-18(25)14-29-24(32-23)31-17-11-19(26)22(20(27)12-17)33-6-8-35-9-7-33/h2-5,10-12,14H,1,6-9,13H2,(H,30,34)(H2,28,29,31,32)
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n/an/a 20n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109410
PNG
(CHEMBL3601229)
Show SMILES CN1CCN(CC1)c1c(Cl)cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc1Cl
Show InChI InChI=1S/C25H26Cl3N7O/c1-3-22(36)31-17-6-4-5-16(11-17)14-29-24-21(28)15-30-25(33-24)32-18-12-19(26)23(20(27)13-18)35-9-7-34(2)8-10-35/h3-6,11-13,15H,1,7-10,14H2,2H3,(H,31,36)(H2,29,30,32,33)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50109531
PNG
(CHEMBL3601231)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H25ClN6O2/c1-2-22(32)28-19-5-3-4-17(14-19)15-26-23-21(25)16-27-24(30-23)29-18-6-8-20(9-7-18)31-10-12-33-13-11-31/h2-9,14,16H,1,10-13,15H2,(H,28,32)(H2,26,27,29,30)
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n/an/a 24n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109418
PNG
(CHEMBL3601239)
Show SMILES CCN(CC)CCCCNc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C22H31ClN6O/c1-4-20(30)27-18-11-9-10-17(14-18)15-25-21-19(23)16-26-22(28-21)24-12-7-8-13-29(5-2)6-3/h4,9-11,14,16H,1,5-8,12-13,15H2,2-3H3,(H,27,30)(H2,24,25,26,28)
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n/an/a 24n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50109531
PNG
(CHEMBL3601231)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H25ClN6O2/c1-2-22(32)28-19-5-3-4-17(14-19)15-26-23-21(25)16-27-24(30-23)29-18-6-8-20(9-7-18)31-10-12-33-13-11-31/h2-9,14,16H,1,10-13,15H2,(H,28,32)(H2,26,27,29,30)
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n/an/a 29n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin) by LanthaScreen assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109510
PNG
(CHEMBL3601714)
Show SMILES COc1cc(ccc1Nc1ncc(F)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30FN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 30n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109515
PNG
(CHEMBL3601719)
Show SMILES COc1cc(ccc1Nc1ncc(OC)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H33N7O3/c1-5-25(35)30-20-8-6-7-19(15-20)17-28-26-24(37-4)18-29-27(32-26)31-22-10-9-21(16-23(22)36-3)34-13-11-33(2)12-14-34/h5-10,15-16,18H,1,11-14,17H2,2-4H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 31n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109514
PNG
(CHEMBL3601718)
Show SMILES COc1cc(ccc1Nc1ncc(C)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H33N7O2/c1-5-25(35)30-21-8-6-7-20(15-21)18-28-26-19(2)17-29-27(32-26)31-23-10-9-22(16-24(23)36-4)34-13-11-33(3)12-14-34/h5-10,15-17H,1,11-14,18H2,2-4H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 31n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50109527
PNG
(CHEMBL3601120)
Show SMILES OCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C19H20ClN7O2/c1-2-17(29)24-14-5-3-4-13(8-14)9-21-18-16(20)11-22-19(26-18)25-15-10-23-27(12-15)6-7-28/h2-5,8,10-12,28H,1,6-7,9H2,(H,24,29)(H2,21,22,25,26)
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n/an/a 32n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50109528
PNG
(CHEMBL3601115)
Show SMILES COCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C20H22ClN7O2/c1-3-18(29)25-15-6-4-5-14(9-15)10-22-19-17(21)12-23-20(27-19)26-16-11-24-28(13-16)7-8-30-2/h3-6,9,11-13H,1,7-8,10H2,2H3,(H,25,29)(H2,22,23,26,27)
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n/an/a 35n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK (TXK)


(Homo sapiens (Human))
BDBM50109532
PNG
(CHEMBL3601223)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 36n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TXK (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50109528
PNG
(CHEMBL3601115)
Show SMILES COCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C20H22ClN7O2/c1-3-18(29)25-15-6-4-5-14(9-15)10-22-19-17(21)12-23-20(27-19)26-16-11-24-28(13-16)7-8-30-2/h3-6,9,11-13H,1,7-8,10H2,2H3,(H,25,29)(H2,22,23,26,27)
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n/an/a 43n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109405
PNG
(CHEMBL3601224)
Show SMILES COc1cc(N2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C26H29ClFN7O2/c1-4-24(36)31-18-7-5-6-17(12-18)15-29-25-19(27)16-30-26(33-25)32-21-13-20(28)22(14-23(21)37-3)35-10-8-34(2)9-11-35/h4-7,12-14,16H,1,8-11,15H2,2-3H3,(H,31,36)(H2,29,30,32,33)
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n/an/a 46n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50109529
PNG
(CHEMBL3601242)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C18H18ClN7O/c1-3-16(27)23-13-6-4-5-12(7-13)8-20-17-15(19)10-21-18(25-17)24-14-9-22-26(2)11-14/h3-7,9-11H,1,8H2,2H3,(H,23,27)(H2,20,21,24,25)
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n/an/a 49n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50109532
PNG
(CHEMBL3601223)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 49n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin) by LanthaScreen assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50109528
PNG
(CHEMBL3601115)
Show SMILES COCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C20H22ClN7O2/c1-3-18(29)25-15-6-4-5-14(9-15)10-22-19-17(21)12-23-20(27-19)26-16-11-24-28(13-16)7-8-30-2/h3-6,9,11-13H,1,7-8,10H2,2H3,(H,25,29)(H2,22,23,26,27)
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n/an/a 51n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109497
PNG
(CHEMBL3601125)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)\C=C\CN)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H33ClN8O2/c1-35-11-13-36(14-12-35)21-8-9-23(24(16-21)38-2)33-27-31-18-22(28)26(34-27)30-17-19-5-3-6-20(15-19)32-25(37)7-4-10-29/h3-9,15-16,18H,10-14,17,29H2,1-2H3,(H,32,37)(H2,30,31,33,34)/b7-4+
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n/an/a 64n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109500
PNG
(CHEMBL3601704)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2ccc(NC(=O)C=C)cc2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-18(6-8-19)16-28-25-21(27)17-29-26(32-25)31-22-10-9-20(15-23(22)36-3)34-13-11-33(2)12-14-34/h4-10,15,17H,1,11-14,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 83n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109419
PNG
(CHEMBL3601240)
Show SMILES CC(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H23ClN6O2/c1-3-18(29)24-15-6-4-5-14(9-15)10-22-19-17(21)11-23-20(26-19)25-16-7-8-27(12-16)13(2)28/h3-6,9,11,16H,1,7-8,10,12H2,2H3,(H,24,29)(H2,22,23,25,26)/t16-/m1/s1
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n/an/a 99n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109520
PNG
(CHEMBL3601724)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ncn(Cc4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C26H28N8O/c1-3-24(35)29-21-6-4-5-19(15-21)17-34-18-28-23-16-27-26(31-25(23)34)30-20-7-9-22(10-8-20)33-13-11-32(2)12-14-33/h3-10,15-16,18H,1,11-14,17H2,2H3,(H,29,35)(H,27,30,31)
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n/an/a 101n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50109529
PNG
(CHEMBL3601242)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C18H18ClN7O/c1-3-16(27)23-13-6-4-5-12(7-13)8-20-17-15(19)10-21-18(25-17)24-14-9-22-26(2)11-14/h3-7,9-11H,1,8H2,2H3,(H,23,27)(H2,20,21,24,25)
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n/an/a 107n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50109527
PNG
(CHEMBL3601120)
Show SMILES OCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C19H20ClN7O2/c1-2-17(29)24-14-5-3-4-13(8-14)9-21-18-16(20)11-22-19(26-18)25-15-10-23-27(12-15)6-7-28/h2-5,8,10-12,28H,1,6-7,9H2,(H,24,29)(H2,21,22,25,26)
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n/an/a 140n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50109527
PNG
(CHEMBL3601120)
Show SMILES OCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C19H20ClN7O2/c1-2-17(29)24-14-5-3-4-13(8-14)9-21-18-16(20)11-22-19(26-18)25-15-10-23-27(12-15)6-7-28/h2-5,8,10-12,28H,1,6-7,9H2,(H,24,29)(H2,21,22,25,26)
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n/an/a 143n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin) by LanthaScreen assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens)
BDBM50109532
PNG
(CHEMBL3601223)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BLK (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109406
PNG
(CHEMBL3601225)
Show SMILES COc1cc(N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C27H32ClN7O2/c1-5-25(36)31-20-8-6-7-19(14-20)16-29-26-21(28)17-30-27(33-26)32-22-13-18(2)23(15-24(22)37-4)35-11-9-34(3)10-12-35/h5-8,13-15,17H,1,9-12,16H2,2-4H3,(H,31,36)(H2,29,30,32,33)
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n/an/a 170n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50109529
PNG
(CHEMBL3601242)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C18H18ClN7O/c1-3-16(27)23-13-6-4-5-12(7-13)8-20-17-15(19)10-21-18(25-17)24-14-9-22-26(2)11-14/h3-7,9-11H,1,8H2,2H3,(H,23,27)(H2,20,21,24,25)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin) by LanthaScreen assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50109528
PNG
(CHEMBL3601115)
Show SMILES COCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C20H22ClN7O2/c1-3-18(29)25-15-6-4-5-14(9-15)10-22-19-17(21)12-23-20(27-19)26-16-11-24-28(13-16)7-8-30-2/h3-6,9,11-13H,1,7-8,10H2,2H3,(H,25,29)(H2,22,23,26,27)
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n/an/a 212n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin) by LanthaScreen assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109516
PNG
(CHEMBL3601720)
Show SMILES COc1cc(ccc1Nc1ncc(C2CC2)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCNCC1
Show InChI InChI=1S/C28H33N7O2/c1-3-26(36)32-21-6-4-5-19(15-21)17-30-27-23(20-7-8-20)18-31-28(34-27)33-24-10-9-22(16-25(24)37-2)35-13-11-29-12-14-35/h3-6,9-10,15-16,18,20,29H,1,7-8,11-14,17H2,2H3,(H,32,36)(H2,30,31,33,34)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109517
PNG
(CHEMBL3601721)
Show SMILES COc1cc(ccc1Nc1nccc(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H31N7O2/c1-4-25(34)29-20-7-5-6-19(16-20)18-28-24-10-11-27-26(31-24)30-22-9-8-21(17-23(22)35-3)33-14-12-32(2)13-15-33/h4-11,16-17H,1,12-15,18H2,2-3H3,(H,29,34)(H2,27,28,30,31)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109496
PNG
(CHEMBL3601124)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)\C=C\CO)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H32ClN7O3/c1-34-10-12-35(13-11-34)21-8-9-23(24(16-21)38-2)32-27-30-18-22(28)26(33-27)29-17-19-5-3-6-20(15-19)31-25(37)7-4-14-36/h3-9,15-16,18,36H,10-14,17H2,1-2H3,(H,31,37)(H2,29,30,32,33)/b7-4+
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109498
PNG
(CHEMBL3601126)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)\C=C\CN(C)C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C29H37ClN8O2/c1-36(2)12-6-9-27(39)33-22-8-5-7-21(17-22)19-31-28-24(30)20-32-29(35-28)34-25-11-10-23(18-26(25)40-4)38-15-13-37(3)14-16-38/h5-11,17-18,20H,12-16,19H2,1-4H3,(H,33,39)(H2,31,32,34,35)/b9-6+
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50109530
PNG
(CHEMBL3601235)
Show SMILES Fc1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc(F)c1N1CCOCC1
Show InChI InChI=1S/C24H23ClF2N6O2/c1-2-21(34)30-16-5-3-4-15(10-16)13-28-23-18(25)14-29-24(32-23)31-17-11-19(26)22(20(27)12-17)33-6-8-35-9-7-33/h2-5,10-12,14H,1,6-9,13H2,(H,30,34)(H2,28,29,31,32)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50109530
PNG
(CHEMBL3601235)
Show SMILES Fc1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc(F)c1N1CCOCC1
Show InChI InChI=1S/C24H23ClF2N6O2/c1-2-21(34)30-16-5-3-4-15(10-16)13-28-23-18(25)14-29-24(32-23)31-17-11-19(26)22(20(27)12-17)33-6-8-35-9-7-33/h2-5,10-12,14H,1,6-9,13H2,(H,30,34)(H2,28,29,31,32)
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n/an/a 355n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin) by LanthaScreen assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109494
PNG
(CHEMBL3601122)
Show SMILES CCC(=O)Nc1cccc(CNc2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2Cl)c1
Show InChI InChI=1S/C26H32ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h5-9,14-15,17H,4,10-13,16H2,1-3H3,(H,30,35)(H2,28,29,31,32)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50109528
PNG
(CHEMBL3601115)
Show SMILES COCCn1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cn1
Show InChI InChI=1S/C20H22ClN7O2/c1-3-18(29)25-15-6-4-5-14(9-15)10-22-19-17(21)12-23-20(27-19)26-16-11-24-28(13-16)7-8-30-2/h3-6,9,11-13H,1,7-8,10H2,2H3,(H,25,29)(H2,22,23,26,27)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50109532
PNG
(CHEMBL3601223)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50109526
PNG
(CHEMBL3601862)
Show SMILES Clc1cnc(Nc2cnn(CCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C35H47ClN10O6S/c1-2-30(47)41-25-7-5-6-24(18-25)19-38-33-27(36)21-39-34(45-33)42-26-20-40-46(22-26)11-13-51-15-17-52-16-14-50-12-10-37-31(48)9-4-3-8-29-32-28(23-53-29)43-35(49)44-32/h2,5-7,18,20-22,28-29,32H,1,3-4,8-17,19,23H2,(H,37,48)(H,41,47)(H2,43,44,49)(H2,38,39,42,45)/t28-,29-,32-/m0/s1
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50109530
PNG
(CHEMBL3601235)
Show SMILES Fc1cc(Nc2ncc(Cl)c(NCc3cccc(NC(=O)C=C)c3)n2)cc(F)c1N1CCOCC1
Show InChI InChI=1S/C24H23ClF2N6O2/c1-2-21(34)30-16-5-3-4-15(10-16)13-28-23-18(25)14-29-24(32-23)31-17-11-19(26)22(20(27)12-17)33-6-8-35-9-7-33/h2-5,10-12,14H,1,6-9,13H2,(H,30,34)(H2,28,29,31,32)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109524
PNG
(CHEMBL3601728)
Show SMILES COc1cc(ccc1Nc1nc(N)c(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H31ClN8O2/c1-4-22(36)30-18-7-5-6-17(14-18)16-29-25-23(27)24(28)32-26(33-25)31-20-9-8-19(15-21(20)37-3)35-12-10-34(2)11-13-35/h4-9,14-15H,1,10-13,16H2,2-3H3,(H,30,36)(H4,28,29,31,32,33)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50109526
PNG
(CHEMBL3601862)
Show SMILES Clc1cnc(Nc2cnn(CCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C35H47ClN10O6S/c1-2-30(47)41-25-7-5-6-24(18-25)19-38-33-27(36)21-39-34(45-33)42-26-20-40-46(22-26)11-13-51-15-17-52-16-14-50-12-10-37-31(48)9-4-3-8-29-32-28(23-53-29)43-35(49)44-32/h2,5-7,18,20-22,28-29,32H,1,3-4,8-17,19,23H2,(H,37,48)(H,41,47)(H2,43,44,49)(H2,38,39,42,45)/t28-,29-,32-/m0/s1
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n/an/a 743n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50109532
PNG
(CHEMBL3601223)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 794n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50109532
PNG
(CHEMBL3601223)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 896n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50109532
PNG
(CHEMBL3601223)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens)
BDBM50109532
PNG
(CHEMBL3601223)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ITK (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109420
PNG
(CHEMBL3601241)
Show SMILES CC(=O)N1CC[C@@H](C1)Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1
Show InChI InChI=1S/C20H23ClN6O2/c1-3-18(29)24-15-6-4-5-14(9-15)10-22-19-17(21)11-23-20(26-19)25-16-7-8-27(12-16)13(2)28/h3-6,9,11,16H,1,7-8,10,12H2,2H3,(H,24,29)(H2,22,23,25,26)/t16-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109513
PNG
(CHEMBL3601717)
Show SMILES COc1cc(ccc1Nc1ncc(C#N)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H30N8O2/c1-4-25(36)31-21-7-5-6-19(14-21)17-29-26-20(16-28)18-30-27(33-26)32-23-9-8-22(15-24(23)37-3)35-12-10-34(2)11-13-35/h4-9,14-15,18H,1,10-13,17H2,2-3H3,(H,31,36)(H2,29,30,32,33)
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n/an/a 2.57E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50109525
PNG
(CHEMBL3601861)
Show SMILES COc1cc(ccc1Nc1nc(NCc2cccc(NC(=O)C=C)c2)c2cc[nH]c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C28H32N8O2/c1-4-25(37)31-20-7-5-6-19(16-20)18-30-27-22-10-11-29-26(22)33-28(34-27)32-23-9-8-21(17-24(23)38-3)36-14-12-35(2)13-15-36/h4-11,16-17H,1,12-15,18H2,2-3H3,(H,31,37)(H3,29,30,32,33,34)
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n/an/a 2.72E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50109526
PNG
(CHEMBL3601862)
Show SMILES Clc1cnc(Nc2cnn(CCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2)nc1NCc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C35H47ClN10O6S/c1-2-30(47)41-25-7-5-6-24(18-25)19-38-33-27(36)21-39-34(45-33)42-26-20-40-46(22-26)11-13-51-15-17-52-16-14-50-12-10-37-31(48)9-4-3-8-29-32-28(23-53-29)43-35(49)44-32/h2,5-7,18,20-22,28-29,32H,1,3-4,8-17,19,23H2,(H,37,48)(H,41,47)(H2,43,44,49)(H2,38,39,42,45)/t28-,29-,32-/m0/s1
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n/an/a 3.12E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50109532
PNG
(CHEMBL3601223)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30ClN7O2/c1-4-24(35)30-19-7-5-6-18(14-19)16-28-25-21(27)17-29-26(32-25)31-22-9-8-20(15-23(22)36-3)34-12-10-33(2)11-13-34/h4-9,14-15,17H,1,10-13,16H2,2-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by Z'-Lyte assay


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50383274
PNG
(CHEMBL1229592 | US9670213, WZ4002)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
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n/an/an/a 150n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity to JAK3 (unknown origin)


J Med Chem 58: 6589-606 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00710
BindingDB Entry DOI: 10.7270/Q2833TSH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%