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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'james' and Initial = 'ds'   
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))
BDBM85122
PNG
(Thr1 inhibitor, 1)
Show SMILES C=CC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM81346
PNG
(CHEMBL538798 | M9440 (Me-3,4-dephostatin))
Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421427
PNG
(CHEMBL543228)
Show SMILES O=C(CCN1CCOCC1)c1ccc2ccc3ccccc3c2c1
Show InChI InChI=1S/C21H21NO2/c23-21(9-10-22-11-13-24-14-12-22)18-8-7-17-6-5-16-3-1-2-4-19(16)20(17)15-18/h1-8,15H,9-14H2
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n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421417
PNG
(CHEMBL541346)
Show SMILES CN(C)CCC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C15H17NO/c1-16(2)10-9-15(17)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,9-10H2,1-2H3
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n/an/a 630n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421425
PNG
(CHEMBL544872)
Show SMILES O=C(CCN1CCCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO/c21-19(11-14-20-12-5-1-2-6-13-20)18-10-9-16-7-3-4-8-17(16)15-18/h3-4,7-10,15H,1-2,5-6,11-14H2
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n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421423
PNG
(CHEMBL543939)
Show SMILES O=C(CCN1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H19NO2/c19-17(7-8-18-9-11-20-12-10-18)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13H,7-12H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM81346
PNG
(CHEMBL538798 | M9440 (Me-3,4-dephostatin))
Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421426
PNG
(CHEMBL552585)
Show SMILES O=C(CCN1CCOCC1)c1cccc2ccccc12
Show InChI InChI=1S/C17H19NO2/c19-17(8-9-18-10-12-20-13-11-18)16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2
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n/an/a 3.16E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM81346
PNG
(CHEMBL538798 | M9440 (Me-3,4-dephostatin))
Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM81346
PNG
(CHEMBL538798 | M9440 (Me-3,4-dephostatin))
Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 4


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM85122
PNG
(Thr1 inhibitor, 1)
Show SMILES C=CC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM85122
PNG
(Thr1 inhibitor, 1)
Show SMILES C=CC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM85122
PNG
(Thr1 inhibitor, 1)
Show SMILES C=CC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 4


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421420
PNG
(CHEMBL225385)
Show SMILES Clc1ccccc1C=CC(=O)CCN1CCOCC1 |w:7.7|
Show InChI InChI=1S/C15H18ClNO2/c16-15-4-2-1-3-13(15)5-6-14(18)7-8-17-9-11-19-12-10-17/h1-6H,7-12H2
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n/an/a 1.26E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421422
PNG
(CHEMBL543226)
Show SMILES CC(=Cc1ccccc1)C(=O)CCN1CCOCC1 |w:2.2|
Show InChI InChI=1S/C16H21NO2/c1-14(13-15-5-3-2-4-6-15)16(18)7-8-17-9-11-19-12-10-17/h2-6,13H,7-12H2,1H3
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n/an/a 1.26E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM4313
PNG
((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O
Show InChI InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+
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n/an/a 1.26E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421418
PNG
(CHEMBL542522)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)CCN1CCOCC1
Show InChI InChI=1S/C18H21NO3/c1-21-17-5-4-14-12-16(3-2-15(14)13-17)18(20)6-7-19-8-10-22-11-9-19/h2-5,12-13H,6-11H2,1H3
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n/an/a 1.58E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM85122
PNG
(Thr1 inhibitor, 1)
Show SMILES C=CC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H10O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Janus kinase 1


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM81346
PNG
(CHEMBL538798 | M9440 (Me-3,4-dephostatin))
Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
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n/an/a 3.98E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Janus kinase 1


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421424
PNG
(CHEMBL542762)
Show SMILES COc1cc2ccc(cc2cc1OC)C(=O)CCN1CCOCC1
Show InChI InChI=1S/C19H23NO4/c1-22-18-12-14-3-4-15(11-16(14)13-19(18)23-2)17(21)5-6-20-7-9-24-10-8-20/h3-4,11-13H,5-10H2,1-2H3
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n/an/a 2.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50421421
PNG
(CHEMBL154693)
Show SMILES OC(C=C)c1ccc2ccccc2c1
Show InChI InChI=1S/C13H12O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h2-9,13-14H,1H2
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n/an/a 5.01E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50218571
PNG
(CHEMBL541100)
Show SMILES Cl.CC(C)(CN1CCOCC1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO2/c1-19(2,14-20-9-11-22-12-10-20)18(21)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13H,9-12,14H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50218575
PNG
(CHEMBL544174)
Show SMILES Cl.O\N=C(\CCN1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H20N2O2/c20-18-17(7-8-19-9-11-21-12-10-19)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13,20H,7-12H2/b18-17-
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50218573
PNG
(CHEMBL542023)
Show SMILES Cl.O=c1c(CN2CCOCC2)coc2cc3ccccc3cc12
Show InChI InChI=1S/C18H17NO3/c20-18-15(11-19-5-7-21-8-6-19)12-22-17-10-14-4-2-1-3-13(14)9-16(17)18/h1-4,9-10,12H,5-8,11H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50218574
PNG
(CHEMBL540593)
Show SMILES Cl.O=C(CCNCc1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H19NO/c22-20(12-13-21-15-16-6-2-1-3-7-16)19-11-10-17-8-4-5-9-18(17)14-19/h1-11,14,21H,12-13,15H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50218572
PNG
(CHEMBL154877)
Show SMILES O=C(CCCN1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21NO2/c20-18(6-3-9-19-10-12-21-13-11-19)17-8-7-15-4-1-2-5-16(15)14-17/h1-2,4-5,7-8,14H,3,6,9-13H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair