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Compile Data Set for Download or QSAR

Found 210 hits with Last Name = 'akahane' and Initial = 'k'   
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))
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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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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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))
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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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))
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))
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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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))
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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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))
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))
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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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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n/an/a 0.580n/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))
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))
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))
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 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))
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))
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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n/an/a 0.700n/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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
Renin


(Homo sapiens (human))
BDBM50012951
PNG
(4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...)
Show SMILES CC(C)OC(=O)C(O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12
Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1
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Kissei Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition of renin from human


J Med Chem 33: 2707-14 (1990)


Article DOI: 10.1021/jm00172a005
BindingDB Entry DOI: 10.7270/Q2N29XJZ
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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n/an/a 2.90n/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 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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n/an/a 3.60n/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
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028719
PNG
((2E)-3-[3-(1H-imidazol-1-ylmethyl)phenyl]-2-methyl...)
Show SMILES C\C(=C/c1cccc(Cn2ccnc2)c1)C(O)=O
Show InChI InChI=1S/C14H14N2O2/c1-11(14(17)18)7-12-3-2-4-13(8-12)9-16-6-5-15-10-16/h2-8,10H,9H2,1H3,(H,17,18)/b11-7+
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
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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n/an/a 4.60n/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
Renin


(Homo sapiens (human))
BDBM50012951
PNG
(4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...)
Show SMILES CC(C)OC(=O)C(O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12
Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Kissei Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition of human plasma renin


J Med Chem 33: 2707-14 (1990)


Article DOI: 10.1021/jm00172a005
BindingDB Entry DOI: 10.7270/Q2N29XJZ
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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n/an/a 4.80n/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
3D
3D Structure (crystal)
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50028737
PNG
(4-(3-Imidazol-1-yl-propyl)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(CCCn2ccnc2)cc1
Show InChI InChI=1S/C13H14N2O2/c16-13(17)12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2,(H,16,17)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human thromboxane synthetase


J Med Chem 24: 1139-48 (1982)


Article DOI: 10.1021/jm00142a005
BindingDB Entry DOI: 10.7270/Q2KK9CB6
More data for this
Ligand-Target Pair
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
Renin


(Homo sapiens (human))
BDBM50012950
PNG
(2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C
Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)/t26-,29-,30+,32?/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Kissei Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition of human plasma renin


J Med Chem 33: 2707-14 (1990)


Article DOI: 10.1021/jm00172a005
BindingDB Entry DOI: 10.7270/Q2N29XJZ
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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n/an/a 6.20n/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))
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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n/an/a 6.60n/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
Renin


(Homo sapiens (human))
BDBM50012950
PNG
(2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C
Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)/t26-,29-,30+,32?/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



Kissei Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition of renin from human


J Med Chem 33: 2707-14 (1990)


Article DOI: 10.1021/jm00172a005
BindingDB Entry DOI: 10.7270/Q2N29XJZ
More data for this
Ligand-Target Pair
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