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PubMed code 18819794

Compile data set for download or QSAR
Found 53 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 ITK/TSK


(Homo sapiens (Human))
BDBM50274627
PNG
(CHEMBL483581 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...)
Show SMILES CN(C(=O)c1ccc(F)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H21FN6O3/c1-32(25(36)18-6-8-19(27)9-7-18)20-10-11-22-21(14-20)30-26(33(22)13-12-23(29)34)31-24(35)17-4-2-16(15-28)3-5-17/h2-11,14H,12-13H2,1H3,(H2,29,34)(H,30,31,35)
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PubMed
n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26811
PNG
(CHEMBL485202 | N-[2-benzamido-1-(2-carbamoylethyl)...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3)nc2c1
Show InChI InChI=1S/C25H23N5O3/c1-29(24(33)18-10-6-3-7-11-18)19-12-13-21-20(16-19)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H2,26,31)(H,27,28,32)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26813
PNG
(CHEMBL460824 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H22N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h2-12,15H,13-14H2,1H3,(H2,28,33)(H,29,30,34)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274668
PNG
(CHEMBL485030 | N-(1-(3-amino-3-oxopropyl)-2-(4-cya...)
Show SMILES CN(C(=O)c1cccnc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C25H21N7O3/c1-31(24(35)18-3-2-11-28-15-18)19-8-9-21-20(13-19)29-25(32(21)12-10-22(27)33)30-23(34)17-6-4-16(14-26)5-7-17/h2-9,11,13,15H,10,12H2,1H3,(H2,27,33)(H,29,30,34)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274471
PNG
(CHEMBL485556 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)
Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h7-12,15,19H,2-6,13-14H2,1H3,(H2,28,33)(H,29,30,34)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274471
PNG
(CHEMBL485556 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)
Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H28N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h7-12,15,19H,2-6,13-14H2,1H3,(H2,28,33)(H,29,30,34)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26812
PNG
(CHEMBL485203 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
Show InChI InChI=1S/C25H22ClN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h2-12,15H,13-14H2,1H3,(H2,27,32)(H,28,29,33)
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274666
PNG
(CHEMBL485626 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...)
Show SMILES COc1ccc(cc1)C(=O)N(C)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C27H24N6O4/c1-32(26(36)19-7-10-21(37-2)11-8-19)20-9-12-23-22(15-20)30-27(33(23)14-13-24(29)34)31-25(35)18-5-3-17(16-28)4-6-18/h3-12,15H,13-14H2,1-2H3,(H2,29,34)(H,30,31,35)
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274001
PNG
(CHEMBL462301 | N-[5-(Benzoyl-ethyl-amino)-1-(2-car...)
Show SMILES CCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C27H24N6O3/c1-2-32(26(36)20-6-4-3-5-7-20)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-10-8-18(17-28)9-11-19/h3-13,16H,2,14-15H2,1H3,(H2,29,34)(H,30,31,35)
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26830
PNG
(CHEMBL457706 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C#N)nc2c1
Show InChI InChI=1S/C24H20N6O3S/c1-29(23(33)15-5-3-2-4-6-15)16-7-9-19-18(13-16)27-24(30(19)12-11-21(26)31)28-22(32)20-10-8-17(14-25)34-20/h2-10,13H,11-12H2,1H3,(H2,26,31)(H,27,28,32)
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274154
PNG
(CHEMBL519033 | N-(1-(3-amino-3-oxopropyl)-5-(4,4-d...)
Show SMILES CN(C(=O)C1CCC(F)(F)CC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H26F2N6O3/c1-33(24(37)18-8-11-26(27,28)12-9-18)19-6-7-21-20(14-19)31-25(34(21)13-10-22(30)35)32-23(36)17-4-2-16(15-29)3-5-17/h2-7,14,18H,8-13H2,1H3,(H2,30,35)(H,31,32,36)
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274665
PNG
(CHEMBL484945 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...)
Show SMILES CN(C(=O)c1ccc(C)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C27H24N6O3/c1-17-3-7-20(8-4-17)26(36)32(2)21-11-12-23-22(15-21)30-27(33(23)14-13-24(29)34)31-25(35)19-9-5-18(16-28)6-10-19/h3-12,15H,13-14H2,1-2H3,(H2,29,34)(H,30,31,35)
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26827
PNG
(CHEMBL458796 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccno3)nc2c1
Show InChI InChI=1S/C22H20N6O4/c1-27(21(31)14-5-3-2-4-6-14)15-7-8-17-16(13-15)25-22(28(17)12-10-19(23)29)26-20(30)18-9-11-24-32-18/h2-9,11,13H,10,12H2,1H3,(H2,23,29)(H,25,26,30)
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274000
PNG
(CHEMBL460389 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccoc3)nc2c1
Show InChI InChI=1S/C23H21N5O4/c1-27(22(31)15-5-3-2-4-6-15)17-7-8-19-18(13-17)25-23(28(19)11-9-20(24)29)26-21(30)16-10-12-32-14-16/h2-8,10,12-14H,9,11H2,1H3,(H2,24,29)(H,25,26,30)
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274628
PNG
(CHEMBL484766 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...)
Show SMILES CN(C(=O)c1ccc(Cl)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H21ClN6O3/c1-32(25(36)18-6-8-19(27)9-7-18)20-10-11-22-21(14-20)30-26(33(22)13-12-23(29)34)31-24(35)17-4-2-16(15-28)3-5-17/h2-11,14H,12-13H2,1H3,(H2,29,34)(H,30,31,35)
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n/an/a 12n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26820
PNG
(BMCL186218 Compound 1 | CHEMBL457886 | N-[(2E)-5-[...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C23H21N5O3S/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h2-10,13-14H,11-12H2,1H3,(H2,24,29)(H,25,26,30)
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n/an/a 14n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274003
PNG
(CHEMBL462514 | N-[5-(Benzoyl-propyl-amino)-1-(2-ca...)
Show SMILES CCCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C28H26N6O3/c1-2-15-33(27(37)21-6-4-3-5-7-21)22-12-13-24-23(17-22)31-28(34(24)16-14-25(30)35)32-26(36)20-10-8-19(18-29)9-11-20/h3-13,17H,2,14-16H2,1H3,(H2,30,35)(H,31,32,36)
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n/an/a 18n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274747
PNG
(CHEMBL457705 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(nc3)C#N)nc2c1
Show InChI InChI=1S/C25H21N7O3/c1-31(24(35)16-5-3-2-4-6-16)19-9-10-21-20(13-19)29-25(32(21)12-11-22(27)33)30-23(34)17-7-8-18(14-26)28-15-17/h2-10,13,15H,11-12H2,1H3,(H2,27,33)(H,29,30,34)
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n/an/a 23n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274701
PNG
(CHEMBL485201 | N-(1-(3-amino-3-oxopropyl)-2-(4-cya...)
Show SMILES CN(C(=O)c1ccncc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C25H21N7O3/c1-31(24(35)18-8-11-28-12-9-18)19-6-7-21-20(14-19)29-25(32(21)13-10-22(27)33)30-23(34)17-4-2-16(15-26)3-5-17/h2-9,11-12,14H,10,13H2,1H3,(H2,27,33)(H,29,30,34)
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n/an/a 27n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274002
PNG
(CHEMBL517901 | N-(1-(3-amino-3-oxopropyl)-5-(N-eth...)
Show SMILES CCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccno3)nc2c1
Show InChI InChI=1S/C23H22N6O4/c1-2-28(22(32)15-6-4-3-5-7-15)16-8-9-18-17(14-16)26-23(29(18)13-11-20(24)30)27-21(31)19-10-12-25-33-19/h3-10,12,14H,2,11,13H2,1H3,(H2,24,30)(H,26,27,31)
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n/an/a 27n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274667
PNG
(CHEMBL490269 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...)
Show SMILES CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C27H21F3N6O4/c1-35(25(39)18-6-9-20(10-7-18)40-27(28,29)30)19-8-11-22-21(14-19)33-26(36(22)13-12-23(32)37)34-24(38)17-4-2-16(15-31)3-5-17/h2-11,14H,12-13H2,1H3,(H2,32,37)(H,33,34,38)
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n/an/a 35n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274044
PNG
(CHEMBL485584 | N-[5-(Benzoyl-propyl-amino)-1-(2-ca...)
Show SMILES CCCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
Show InChI InChI=1S/C27H26ClN5O3/c1-2-15-32(26(36)19-6-4-3-5-7-19)21-12-13-23-22(17-21)30-27(33(23)16-14-24(29)34)31-25(35)18-8-10-20(28)11-9-18/h3-13,17H,2,14-16H2,1H3,(H2,29,34)(H,30,31,35)
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n/an/a 54n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM26820
PNG
(BMCL186218 Compound 1 | CHEMBL457886 | N-[(2E)-5-[...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1
Show InChI InChI=1S/C23H21N5O3S/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h2-10,13-14H,11-12H2,1H3,(H2,24,29)(H,25,26,30)
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n/an/a 110n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of IRK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM26811
PNG
(CHEMBL485202 | N-[2-benzamido-1-(2-carbamoylethyl)...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3)nc2c1
Show InChI InChI=1S/C25H23N5O3/c1-29(24(33)18-10-6-3-7-11-18)19-12-13-21-20(16-19)27-25(30(21)15-14-22(26)31)28-23(32)17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H2,26,31)(H,27,28,32)
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n/an/a 120n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of IRK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274001
PNG
(CHEMBL462301 | N-[5-(Benzoyl-ethyl-amino)-1-(2-car...)
Show SMILES CCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C27H24N6O3/c1-2-32(26(36)20-6-4-3-5-7-20)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-10-8-18(17-28)9-11-19/h3-13,16H,2,14-15H2,1H3,(H2,29,34)(H,30,31,35)
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n/an/a 160n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274628
PNG
(CHEMBL484766 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...)
Show SMILES CN(C(=O)c1ccc(Cl)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H21ClN6O3/c1-32(25(36)18-6-8-19(27)9-7-18)20-10-11-22-21(14-20)30-26(33(22)13-12-23(29)34)31-24(35)17-4-2-16(15-28)3-5-17/h2-11,14H,12-13H2,1H3,(H2,29,34)(H,30,31,35)
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n/an/a 260n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK


(Homo sapiens (Human))
BDBM50274001
PNG
(CHEMBL462301 | N-[5-(Benzoyl-ethyl-amino)-1-(2-car...)
Show SMILES CCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C27H24N6O3/c1-2-32(26(36)20-6-4-3-5-7-20)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-10-8-18(17-28)9-11-19/h3-13,16H,2,14-15H2,1H3,(H2,29,34)(H,30,31,35)
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n/an/a 310n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of TXK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50274000
PNG
(CHEMBL460389 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccoc3)nc2c1
Show InChI InChI=1S/C23H21N5O4/c1-27(22(31)15-5-3-2-4-6-15)17-7-8-19-18(13-17)25-23(28(19)11-9-20(24)29)26-21(30)16-10-12-32-14-16/h2-8,10,12-14H,9,11H2,1H3,(H2,24,29)(H,25,26,30)
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n/an/a 320n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of IRK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274627
PNG
(CHEMBL483581 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...)
Show SMILES CN(C(=O)c1ccc(F)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H21FN6O3/c1-32(25(36)18-6-8-19(27)9-7-18)20-10-11-22-21(14-20)30-26(33(22)13-12-23(29)34)31-24(35)17-4-2-16(15-28)3-5-17/h2-11,14H,12-13H2,1H3,(H2,29,34)(H,30,31,35)
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n/an/a 330n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26812
PNG
(CHEMBL485203 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
Show InChI InChI=1S/C25H22ClN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h2-12,15H,13-14H2,1H3,(H2,27,32)(H,28,29,33)
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n/an/a 340n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM26813
PNG
(CHEMBL460824 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H22N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h2-12,15H,13-14H2,1H3,(H2,28,33)(H,29,30,34)
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n/an/a 340n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274665
PNG
(CHEMBL484945 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...)
Show SMILES CN(C(=O)c1ccc(C)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C27H24N6O3/c1-17-3-7-20(8-4-17)26(36)32(2)21-11-12-23-22(15-21)30-27(33(23)14-13-24(29)34)31-25(35)19-9-5-18(16-28)6-10-19/h3-12,15H,13-14H2,1-2H3,(H2,29,34)(H,30,31,35)
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n/an/a 370n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274667
PNG
(CHEMBL490269 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...)
Show SMILES CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C27H21F3N6O4/c1-35(25(39)18-6-9-20(10-7-18)40-27(28,29)30)19-8-11-22-21(14-19)33-26(36(22)13-12-23(32)37)34-24(38)17-4-2-16(15-31)3-5-17/h2-11,14H,12-13H2,1H3,(H2,32,37)(H,33,34,38)
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n/an/a 500n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK


(Homo sapiens (Human))
BDBM26812
PNG
(CHEMBL485203 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
Show InChI InChI=1S/C25H22ClN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h2-12,15H,13-14H2,1H3,(H2,27,32)(H,28,29,33)
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n/an/a 500n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of TXK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK


(Homo sapiens (Human))
BDBM26813
PNG
(CHEMBL460824 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H22N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h2-12,15H,13-14H2,1H3,(H2,28,33)(H,29,30,34)
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n/an/a 560n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of TXK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274668
PNG
(CHEMBL485030 | N-(1-(3-amino-3-oxopropyl)-2-(4-cya...)
Show SMILES CN(C(=O)c1cccnc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C25H21N7O3/c1-31(24(35)18-3-2-11-28-15-18)19-8-9-21-20(13-19)29-25(32(21)12-10-22(27)33)30-23(34)17-6-4-16(14-26)5-7-17/h2-9,11,13,15H,10,12H2,1H3,(H2,27,33)(H,29,30,34)
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n/an/a 720n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274666
PNG
(CHEMBL485626 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...)
Show SMILES COc1ccc(cc1)C(=O)N(C)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C27H24N6O4/c1-32(26(36)19-7-10-21(37-2)11-8-19)20-9-12-23-22(15-20)30-27(33(23)14-13-24(29)34)31-25(35)18-5-3-17(16-28)4-6-18/h3-12,15H,13-14H2,1-2H3,(H2,29,34)(H,30,31,35)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274704
PNG
(CHEMBL485206 | N-[5-(Benzoyl-methyl-amino)-1-(2-ca...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C#N)c(C)c3)nc2c1
Show InChI InChI=1S/C27H24N6O3/c1-17-14-19(8-9-20(17)16-28)25(35)31-27-30-22-15-21(10-11-23(22)33(27)13-12-24(29)34)32(2)26(36)18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H2,29,34)(H,30,31,35)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of recombinant ITK (unknown origin) by DELFIA assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274154
PNG
(CHEMBL519033 | N-(1-(3-amino-3-oxopropyl)-5-(4,4-d...)
Show SMILES CN(C(=O)C1CCC(F)(F)CC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H26F2N6O3/c1-33(24(37)18-8-11-26(27,28)12-9-18)19-6-7-21-20(14-19)31-25(34(21)13-10-22(30)35)32-23(36)17-4-2-16(15-29)3-5-17/h2-7,14,18H,8-13H2,1H3,(H2,30,35)(H,31,32,36)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50274701
PNG
(CHEMBL485201 | N-(1-(3-amino-3-oxopropyl)-2-(4-cya...)
Show SMILES CN(C(=O)c1ccncc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C25H21N7O3/c1-31(24(35)18-8-11-28-12-9-18)19-6-7-21-20(14-19)29-25(32(21)13-10-22(27)33)30-23(34)17-4-2-16(15-26)3-5-17/h2-9,11-12,14H,10,13H2,1H3,(H2,27,33)(H,29,30,34)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM50274001
PNG
(CHEMBL462301 | N-[5-(Benzoyl-ethyl-amino)-1-(2-car...)
Show SMILES CCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C27H24N6O3/c1-2-32(26(36)20-6-4-3-5-7-20)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-10-8-18(17-28)9-11-19/h3-13,16H,2,14-15H2,1H3,(H2,29,34)(H,30,31,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of Tec kinase


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM26813
PNG
(CHEMBL460824 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H22N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h2-12,15H,13-14H2,1H3,(H2,28,33)(H,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of Tec kinase


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM26812
PNG
(CHEMBL485203 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
Show InChI InChI=1S/C25H22ClN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h2-12,15H,13-14H2,1H3,(H2,27,32)(H,28,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of IRK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM26812
PNG
(CHEMBL485203 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
Show InChI InChI=1S/C25H22ClN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h2-12,15H,13-14H2,1H3,(H2,27,32)(H,28,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of Tec kinase


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM26813
PNG
(CHEMBL460824 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H22N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h2-12,15H,13-14H2,1H3,(H2,28,33)(H,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of Lyn


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM26827
PNG
(CHEMBL458796 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccno3)nc2c1
Show InChI InChI=1S/C22H20N6O4/c1-27(21(31)14-5-3-2-4-6-14)15-7-8-17-16(13-15)25-22(28(17)12-10-19(23)29)26-20(30)18-9-11-24-32-18/h2-9,11,13H,10,12H2,1H3,(H2,23,29)(H,25,26,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of IRK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM26830
PNG
(CHEMBL457706 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C#N)nc2c1
Show InChI InChI=1S/C24H20N6O3S/c1-29(23(33)15-5-3-2-4-6-15)16-7-9-19-18(13-16)27-24(30(19)12-11-21(26)31)28-22(32)20-10-8-17(14-25)34-20/h2-10,13H,11-12H2,1H3,(H2,26,31)(H,27,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of IRK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50274747
PNG
(CHEMBL457705 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(nc3)C#N)nc2c1
Show InChI InChI=1S/C25H21N7O3/c1-31(24(35)16-5-3-2-4-6-16)19-9-10-21-20(13-19)29-25(32(21)12-11-22(27)33)30-23(34)17-7-8-18(14-26)28-15-17/h2-10,13,15H,11-12H2,1H3,(H2,27,33)(H,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of IRK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50274001
PNG
(CHEMBL462301 | N-[5-(Benzoyl-ethyl-amino)-1-(2-car...)
Show SMILES CCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C27H24N6O3/c1-2-32(26(36)20-6-4-3-5-7-20)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-10-8-18(17-28)9-11-19/h3-13,16H,2,14-15H2,1H3,(H2,29,34)(H,30,31,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of Lyn


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50274704
PNG
(CHEMBL485206 | N-[5-(Benzoyl-methyl-amino)-1-(2-ca...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C#N)c(C)c3)nc2c1
Show InChI InChI=1S/C27H24N6O3/c1-17-14-19(8-9-20(17)16-28)25(35)31-27-30-22-15-21(10-11-23(22)33(27)13-12-24(29)34)32(2)26(36)18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H2,29,34)(H,30,31,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of IRK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50274001
PNG
(CHEMBL462301 | N-[5-(Benzoyl-ethyl-amino)-1-(2-car...)
Show SMILES CCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C27H24N6O3/c1-2-32(26(36)20-6-4-3-5-7-20)21-12-13-23-22(16-21)30-27(33(23)15-14-24(29)34)31-25(35)19-10-8-18(17-28)9-11-19/h3-13,16H,2,14-15H2,1H3,(H2,29,34)(H,30,31,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of IRK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM26813
PNG
(CHEMBL460824 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show InChI InChI=1S/C26H22N6O3/c1-31(25(35)19-5-3-2-4-6-19)20-11-12-22-21(15-20)29-26(32(22)14-13-23(28)33)30-24(34)18-9-7-17(16-27)8-10-18/h2-12,15H,13-14H2,1H3,(H2,28,33)(H,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of IRK


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM26812
PNG
(CHEMBL485203 | N-[(2E)-5-[benzene(methyl)amido]-1-...)
Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
Show InChI InChI=1S/C25H22ClN5O3/c1-30(24(34)17-5-3-2-4-6-17)19-11-12-21-20(15-19)28-25(31(21)14-13-22(27)32)29-23(33)16-7-9-18(26)10-8-16/h2-12,15H,13-14H2,1H3,(H2,27,32)(H,28,29,33)
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UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of Lyn


Bioorg Med Chem Lett 18: 5537-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.017
BindingDB Entry DOI: 10.7270/Q208655Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%