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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'stoeck' and Initial = 'm'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50354849
PNG
(CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...)
Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|
Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
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0.238n/an/an/an/an/an/an/an/a



Imperial College

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 568-74 (2005)


Article DOI: 10.1124/jpet.105.085217
BindingDB Entry DOI: 10.7270/Q2CC0Z7J
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM86696
PNG
(des-CIC | desisobutyryl-ciclesonide)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)C1CCCCC1 |c:13,t:9|
Show InChI InChI=1S/C28H38O6/c1-26-11-10-18(30)12-17(26)8-9-19-20-13-23-28(22(32)15-29,27(20,2)14-21(31)24(19)26)34-25(33-23)16-6-4-3-5-7-16/h10-12,16,19-21,23-25,29,31H,3-9,13-15H2,1-2H3/t19-,20-,21-,23+,24+,25+,26-,27-,28+/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Imperial College

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 568-74 (2005)


Article DOI: 10.1124/jpet.105.085217
BindingDB Entry DOI: 10.7270/Q2CC0Z7J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Imperial College

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 568-74 (2005)


Article DOI: 10.1124/jpet.105.085217
BindingDB Entry DOI: 10.7270/Q2CC0Z7J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338099
PNG
(3-(6-methyl-1H-indol-2-yl)-N-(1-methylpiperidin-4-...)
Show SMILES CN1CCC(CC1)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C22H25N5/c1-14-3-4-15-12-21(24-20(15)11-14)22-18-13-17(5-6-19(18)25-26-22)23-16-7-9-27(2)10-8-16/h3-6,11-13,16,23-24H,7-10H2,1-2H3,(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338098
PNG
(3-(6-methyl-1H-indol-2-yl)-N-(piperidin-4-yl)-1H-i...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCNCC3)cc12
Show InChI InChI=1S/C21H23N5/c1-13-2-3-14-11-20(24-19(14)10-13)21-17-12-16(4-5-18(17)25-26-21)23-15-6-8-22-9-7-15/h2-5,10-12,15,22-24H,6-9H2,1H3,(H,25,26)
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n/an/a 16n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338077
PNG
(2-(1H-indazol-3-yl)-N-isobutyl-N-methyl-1H-indole-...)
Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C21H22N4O/c1-13(2)12-25(3)21(26)15-9-8-14-10-19(22-18(14)11-15)20-16-6-4-5-7-17(16)23-24-20/h4-11,13,22H,12H2,1-3H3,(H,23,24)
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n/an/a 20n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338079
PNG
(2-(1H-indazol-3-yl)-N-((1-methyl-1H-imidazol-5-yl)...)
Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C21H18N6O/c1-27-12-22-10-15(27)11-23-21(28)14-7-6-13-8-19(24-18(13)9-14)20-16-4-2-3-5-17(16)25-26-20/h2-10,12,24H,11H2,1H3,(H,23,28)(H,25,26)
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n/an/a 20n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338100
PNG
(CHEMBL1684543 | N-(1-benzylpiperidin-4-yl)-3-(6-me...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCN(Cc4ccccc4)CC3)cc12
Show InChI InChI=1S/C28H29N5/c1-19-7-8-21-16-27(30-26(21)15-19)28-24-17-23(9-10-25(24)31-32-28)29-22-11-13-33(14-12-22)18-20-5-3-2-4-6-20/h2-10,15-17,22,29-30H,11-14,18H2,1H3,(H,31,32)
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n/an/a 23n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338056
PNG
(1-methyl-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3cn(C)cn3)cc12
Show InChI InChI=1S/C20H18N6O2S/c1-12-3-4-13-8-18(22-17(13)7-12)20-15-9-14(5-6-16(15)23-24-20)25-29(27,28)19-10-26(2)11-21-19/h3-11,22,25H,1-2H3,(H,23,24)
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n/an/a 26n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338058
PNG
(CHEMBL1684656 | N1,N1-dimethyl-N2-(3-(6-methyl-1H-...)
Show SMILES CC(CN(C)C)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C21H25N5/c1-13-5-6-15-10-20(23-19(15)9-13)21-17-11-16(7-8-18(17)24-25-21)22-14(2)12-26(3)4/h5-11,14,22-23H,12H2,1-4H3,(H,24,25)
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n/an/a 27n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338112
PNG
(CHEMBL1684655 | N-(1-benzylpyrrolidin-3-yl)-3-(6-m...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCN(Cc4ccccc4)C3)cc12
Show InChI InChI=1S/C27H27N5/c1-18-7-8-20-14-26(29-25(20)13-18)27-23-15-21(9-10-24(23)30-31-27)28-22-11-12-32(17-22)16-19-5-3-2-4-6-19/h2-10,13-15,22,28-29H,11-12,16-17H2,1H3,(H,30,31)
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n/an/a 30n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338049
PNG
(CHEMBL1684516 | N-(3-(6-methyl-1H-indol-2-yl)-1H-i...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C17H16N4O2S/c1-10-3-4-11-8-16(18-15(11)7-10)17-13-9-12(21-24(2,22)23)5-6-14(13)19-20-17/h3-9,18,21H,1-2H3,(H,19,20)
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n/an/a 36n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338057
PNG
(1,5-dimethyl-N-(3-(6-methyl-1H-indol-2-yl)-1H-inda...)
Show SMILES Cc1c(ncn1C)S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C21H20N6O2S/c1-12-4-5-14-9-19(23-18(14)8-12)20-16-10-15(6-7-17(16)24-25-20)26-30(28,29)21-13(2)27(3)11-22-21/h4-11,23,26H,1-3H3,(H,24,25)
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n/an/a 43n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338052
PNG
(3-fluoro-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3cccc(F)c3)cc12
Show InChI InChI=1S/C22H17FN4O2S/c1-13-5-6-14-10-21(24-20(14)9-13)22-18-12-16(7-8-19(18)25-26-22)27-30(28,29)17-4-2-3-15(23)11-17/h2-12,24,27H,1H3,(H,25,26)
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n/an/a 45n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338054
PNG
(3-methoxy-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C23H20N4O3S/c1-14-6-7-15-11-22(24-21(15)10-14)23-19-12-16(8-9-20(19)25-26-23)27-31(28,29)18-5-3-4-17(13-18)30-2/h3-13,24,27H,1-2H3,(H,25,26)
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n/an/a 46n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338051
PNG
(2-fluoro-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3F)cc12
Show InChI InChI=1S/C22H17FN4O2S/c1-13-6-7-14-11-20(24-19(14)10-13)22-16-12-15(8-9-18(16)25-26-22)27-30(28,29)21-5-3-2-4-17(21)23/h2-12,24,27H,1H3,(H,25,26)
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n/an/a 47n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50331277
PNG
(3-(6-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyri...)
Show SMILES COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
Show InChI InChI=1S/C15H12N4O/c1-20-10-5-4-9-7-13(17-12(9)8-10)15-14-11(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19)
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n/an/a 60n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338117
PNG
(2-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-y...)
Show SMILES O=C(Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12)c1ccccc1
Show InChI InChI=1S/C22H16N4O/c27-20(15-5-2-1-3-6-15)12-14-8-9-16-13-19(24-18(16)11-14)22-21-17(25-26-22)7-4-10-23-21/h1-11,13,24H,12H2,(H,25,26)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338074
PNG
(CHEMBL1684676 | N-benzyl-2-(1H-indazol-3-yl)-N-met...)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C24H20N4O/c1-28(15-16-7-3-2-4-8-16)24(29)18-12-11-17-13-22(25-21(17)14-18)23-19-9-5-6-10-20(19)26-27-23/h2-14,25H,15H2,1H3,(H,26,27)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338105
PNG
(2-(dimethylamino)-N-(3-(6-methyl-1H-indol-2-yl)-1H...)
Show SMILES CN(C)CC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C20H21N5O/c1-12-4-5-13-9-18(22-17(13)8-12)20-15-10-14(6-7-16(15)23-24-20)21-19(26)11-25(2)3/h4-10,22H,11H2,1-3H3,(H,21,26)(H,23,24)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338115
PNG
(CHEMBL1684653 | N-(1-ethylpiperidin-3-yl)-3-(6-met...)
Show SMILES CCN1CCCC(C1)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C23H27N5/c1-3-28-10-4-5-18(14-28)24-17-8-9-20-19(13-17)23(27-26-20)22-12-16-7-6-15(2)11-21(16)25-22/h6-9,11-13,18,24-25H,3-5,10,14H2,1-2H3,(H,26,27)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338103
PNG
(CHEMBL1684497 | N-(3-(6-methyl-1H-indol-2-yl)-1H-i...)
Show SMILES CC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C18H16N4O/c1-10-3-4-12-8-17(20-16(12)7-10)18-14-9-13(19-11(2)23)5-6-15(14)21-22-18/h3-9,20H,1-2H3,(H,19,23)(H,21,22)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338050
PNG
(CHEMBL1684517 | N-(3-(6-methyl-1H-indol-2-yl)-1H-i...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C22H18N4O2S/c1-14-7-8-15-12-21(23-20(15)11-14)22-18-13-16(9-10-19(18)24-25-22)26-29(27,28)17-5-3-2-4-6-17/h2-13,23,26H,1H3,(H,24,25)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338075
PNG
(CHEMBL1684677 | N,N-diethyl-2-(1H-indazol-3-yl)-1H...)
Show SMILES CCN(CC)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C20H20N4O/c1-3-24(4-2)20(25)14-10-9-13-11-18(21-17(13)12-14)19-15-7-5-6-8-16(15)22-23-19/h5-12,21H,3-4H2,1-2H3,(H,22,23)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338080
PNG
(3-(6-(2-methoxyethyl)-1H-indol-2-yl)-1H-pyrazolo[4...)
Show SMILES COCCc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
Show InChI InChI=1S/C17H16N4O/c1-22-8-6-11-4-5-12-10-15(19-14(12)9-11)17-16-13(20-21-17)3-2-7-18-16/h2-5,7,9-10,19H,6,8H2,1H3,(H,20,21)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338076
PNG
(2-(1H-indazol-3-yl)-N-(2-methoxyethyl)-N-methyl-1H...)
Show SMILES COCCN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C20H20N4O2/c1-24(9-10-26-2)20(25)14-8-7-13-11-18(21-17(13)12-14)19-15-5-3-4-6-16(15)22-23-19/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338088
PNG
(1-(3,5-dimethylisoxazol-4-yl)-3-(3-(6-methyl-1H-in...)
Show SMILES Cc1noc(C)c1NC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C22H20N6O2/c1-11-4-5-14-9-19(24-18(14)8-11)21-16-10-15(6-7-17(16)26-27-21)23-22(29)25-20-12(2)28-30-13(20)3/h4-10,24H,1-3H3,(H,26,27)(H2,23,25,29)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338114
PNG
(3-(6-methyl-1H-indol-2-yl)-N-(piperidin-3-yl)-1H-i...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCCNC3)cc12
Show InChI InChI=1S/C21H23N5/c1-13-4-5-14-10-20(24-19(14)9-13)21-17-11-15(6-7-18(17)25-26-21)23-16-3-2-8-22-12-16/h4-7,9-11,16,22-24H,2-3,8,12H2,1H3,(H,25,26)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338116
PNG
(3-(6-methyl-1H-indol-2-yl)-N-(pyrrolidin-3-yl)-1H-...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC3CCNC3)cc12
Show InChI InChI=1S/C20H21N5/c1-12-2-3-13-9-19(23-18(13)8-12)20-16-10-14(4-5-17(16)24-25-20)22-15-6-7-21-11-15/h2-5,8-10,15,21-23H,6-7,11H2,1H3,(H,24,25)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338085
PNG
(1-ethyl-3-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-5...)
Show SMILES CCNC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C19H19N5O/c1-3-20-19(25)21-13-6-7-15-14(10-13)18(24-23-15)17-9-12-5-4-11(2)8-16(12)22-17/h4-10,22H,3H2,1-2H3,(H,23,24)(H2,20,21,25)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338110
PNG
(1,3,5-trimethyl-N-(3-(6-methyl-1H-indol-2-yl)-1H-i...)
Show SMILES Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C22H22N6O2S/c1-12-5-6-15-10-20(23-19(15)9-12)21-17-11-16(7-8-18(17)24-25-21)27-31(29,30)22-13(2)26-28(4)14(22)3/h5-11,23,27H,1-4H3,(H,24,25)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338045
PNG
(CHEMBL1684508 | N-(3-(6-methoxy-1H-indol-2-yl)-1H-...)
Show SMILES COc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NC(C)=O)cc12
Show InChI InChI=1S/C18H16N4O2/c1-10(23)19-12-4-6-15-14(8-12)18(22-21-15)17-7-11-3-5-13(24-2)9-16(11)20-17/h3-9,20H,1-2H3,(H,19,23)(H,21,22)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338046
PNG
(2-methoxy-N-(3-(6-methoxy-1H-indol-2-yl)-1H-indazo...)
Show SMILES COCC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(OC)cc4[nH]3)c2c1
Show InChI InChI=1S/C19H18N4O3/c1-25-10-18(24)20-12-4-6-15-14(8-12)19(23-22-15)17-7-11-3-5-13(26-2)9-16(11)21-17/h3-9,21H,10H2,1-2H3,(H,20,24)(H,22,23)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338102
PNG
(2-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-y...)
Show SMILES NC(=O)Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
Show InChI InChI=1S/C16H13N5O/c17-14(22)7-9-3-4-10-8-13(19-12(10)6-9)16-15-11(20-21-16)2-1-5-18-15/h1-6,8,19H,7H2,(H2,17,22)(H,20,21)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338101
PNG
(1-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-y...)
Show SMILES CCC(=O)Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
Show InChI InChI=1S/C18H16N4O/c1-2-13(23)8-11-5-6-12-10-16(20-15(12)9-11)18-17-14(21-22-18)4-3-7-19-17/h3-7,9-10,20H,2,8H2,1H3,(H,21,22)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338073
PNG
(CHEMBL1684675 | N-benzyl-2-(1H-indazol-3-yl)-1H-in...)
Show SMILES O=C(NCc1ccccc1)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C23H18N4O/c28-23(24-14-15-6-2-1-3-7-15)17-11-10-16-12-21(25-20(16)13-17)22-18-8-4-5-9-19(18)26-27-22/h1-13,25H,14H2,(H,24,28)(H,26,27)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338065
PNG
(3-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-y...)
Show SMILES CN(C)CC#Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
Show InChI InChI=1S/C19H17N5/c1-24(2)10-4-5-13-7-8-14-12-17(21-16(14)11-13)19-18-15(22-23-19)6-3-9-20-18/h3,6-9,11-12,21H,10H2,1-2H3,(H,22,23)
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n/an/a 110n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338078
PNG
(CHEMBL1684680 | N-(furan-2-ylmethyl)-2-(1H-indazol...)
Show SMILES CN(Cc1ccco1)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C22H18N4O2/c1-26(13-16-5-4-10-28-16)22(27)15-9-8-14-11-20(23-19(14)12-15)21-17-6-2-3-7-18(17)24-25-21/h2-12,23H,13H2,1H3,(H,24,25)
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n/an/a 110n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338104
PNG
(2-methoxy-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol...)
Show SMILES COCC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C19H18N4O2/c1-11-3-4-12-8-17(21-16(12)7-11)19-14-9-13(20-18(24)10-25-2)5-6-15(14)22-23-19/h3-9,21H,10H2,1-2H3,(H,20,24)(H,22,23)
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n/an/a 120n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338070
PNG
(4-(2-(1H-indazol-3-yl)-1H-indol-6-yl)morpholine | ...)
Show SMILES C1CN(CCO1)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C19H18N4O/c1-2-4-16-15(3-1)19(22-21-16)18-11-13-5-6-14(12-17(13)20-18)23-7-9-24-10-8-23/h1-6,11-12,20H,7-10H2,(H,21,22)
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n/an/a 120n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338118
PNG
(3,5-dimethyl-N-(3-(6-methyl-1H-indol-2-yl)-1H-inda...)
Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C21H19N5O3S/c1-11-4-5-14-9-19(22-18(14)8-11)20-16-10-15(6-7-17(16)23-24-20)26-30(27,28)21-12(2)25-29-13(21)3/h4-10,22,26H,1-3H3,(H,23,24)
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n/an/a 130n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338063
PNG
(3-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-y...)
Show SMILES OCC#Cc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
Show InChI InChI=1S/C17H12N4O/c22-8-2-3-11-5-6-12-10-15(19-14(12)9-11)17-16-13(20-21-17)4-1-7-18-16/h1,4-7,9-10,19,22H,8H2,(H,20,21)
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n/an/a 140n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338041
PNG
(CHEMBL1684505 | N-(3-(1H-indol-2-yl)-1H-indazol-5-...)
Show SMILES CC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C17H14N4O/c1-10(22)18-12-6-7-15-13(9-12)17(21-20-15)16-8-11-4-2-3-5-14(11)19-16/h2-9,19H,1H3,(H,18,22)(H,20,21)
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n/an/a 140n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338042
PNG
(CHEMBL1684506 | N-(3-(1H-indol-2-yl)-1H-indazol-5-...)
Show SMILES COCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C18H16N4O2/c1-24-10-17(23)19-12-6-7-15-13(9-12)18(22-21-15)16-8-11-4-2-3-5-14(11)20-16/h2-9,20H,10H2,1H3,(H,19,23)(H,21,22)
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n/an/a 160n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338111
PNG
(2,4-dimethyl-N-(3-(6-methyl-1H-indol-2-yl)-1H-inda...)
Show SMILES Cc1nc(C)c(s1)S(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1
Show InChI InChI=1S/C21H19N5O2S2/c1-11-4-5-14-9-19(23-18(14)8-11)20-16-10-15(6-7-17(16)24-25-20)26-30(27,28)21-12(2)22-13(3)29-21/h4-10,23,26H,1-3H3,(H,24,25)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338072
PNG
(CHEMBL1684674 | N-(cyclohexylmethyl)-2-(1H-indazol...)
Show SMILES O=C(NCC1CCCCC1)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C23H24N4O/c28-23(24-14-15-6-2-1-3-7-15)17-11-10-16-12-21(25-20(16)13-17)22-18-8-4-5-9-19(18)26-27-22/h4-5,8-13,15,25H,1-3,6-7,14H2,(H,24,28)(H,26,27)
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n/an/a 200n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338084
PNG
(3-(6-benzyl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyrid...)
Show SMILES C(c1ccccc1)c1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
Show InChI InChI=1S/C21H16N4/c1-2-5-14(6-3-1)11-15-8-9-16-13-19(23-18(16)12-15)21-20-17(24-25-21)7-4-10-22-20/h1-10,12-13,23H,11H2,(H,24,25)
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n/an/a 210n/an/an/an/an/an/a



Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338059
PNG
(CHEMBL1684512 | N-(3-(6-methyl-1H-indol-2-yl)-1H-i...)
Show SMILES CC(=O)Nc1ccc2c(n[nH]c2c1)-c1cc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C18H16N4O/c1-10-3-4-12-8-17(20-15(12)7-10)18-14-6-5-13(19-11(2)23)9-16(14)21-22-18/h3-9,20H,1-2H3,(H,19,23)(H,21,22)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338053
PNG
(4-fluoro-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C22H17FN4O2S/c1-13-2-3-14-11-21(24-20(14)10-13)22-18-12-16(6-9-19(18)25-26-22)27-30(28,29)17-7-4-15(23)5-8-17/h2-12,24,27H,1H3,(H,25,26)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50338068
PNG
(2-(1H-indazol-3-yl)-N-(2-methoxyethyl)-1H-indol-6-...)
Show SMILES COCCNc1ccc2cc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C18H18N4O/c1-23-9-8-19-13-7-6-12-10-17(20-16(12)11-13)18-14-4-2-3-5-15(14)21-22-18/h2-7,10-11,19-20H,8-9H2,1H3,(H,21,22)
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Nycomed GmbH

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 21: 1852-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.035
BindingDB Entry DOI: 10.7270/Q2MC90BW
More data for this
Ligand-Target Pair
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