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PubMed code 23880539

Compile data set for download or QSAR
Found 28 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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439157
PNG
(CHEMBL2418752)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(F)c4)c3)c2c1
Show InChI InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11H2,1H3,(H,23,24)
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n/an/a 5.60n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439162
PNG
(CHEMBL2418763)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)cc(F)c4)c3)c2c1
Show InChI InChI=1S/C21H16F2N6/c1-28-11-15(7-26-28)14-4-19-20(9-25-21(19)24-6-14)16-8-27-29(12-16)10-13-2-17(22)5-18(23)3-13/h2-9,11-12H,10H2,1H3,(H,24,25)
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n/an/a 6n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439161
PNG
(CHEMBL2418746)
Show SMILES Cc1nn(Cc2cccc(F)c2)cc1-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C22H19FN6/c1-14-21(13-29(27-14)11-15-4-3-5-18(23)6-15)20-10-25-22-19(20)7-16(8-24-22)17-9-26-28(2)12-17/h3-10,12-13H,11H2,1-2H3,(H,24,25)
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n/an/a 6n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439158
PNG
(CHEMBL2418749)
Show SMILES Cc1nn(Cc2cc(F)cc(F)c2)c(C)c1-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H20F2N6/c1-13-22(14(2)31(29-13)11-15-4-18(24)7-19(25)5-15)21-10-27-23-20(21)6-16(8-26-23)17-9-28-30(3)12-17/h4-10,12H,11H2,1-3H3,(H,26,27)
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n/an/a 26n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439164
PNG
(CHEMBL2418759)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(N)c4)c3)c2c1
Show InChI InChI=1S/C21H19N7/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11,22H2,1H3,(H,23,24)
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n/an/a 28n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439154
PNG
(CHEMBL2418761)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)ccc4F)c3)c2c1
Show InChI InChI=1S/C21H16F2N6/c1-28-10-15(7-26-28)13-5-18-19(9-25-21(18)24-6-13)16-8-27-29(12-16)11-14-4-17(22)2-3-20(14)23/h2-10,12H,11H2,1H3,(H,24,25)
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n/an/a 29n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439155
PNG
(CHEMBL2418754)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(Cl)c4)c3)c2c1
Show InChI InChI=1S/C21H17ClN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11H2,1H3,(H,23,24)
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n/an/a 30n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439160
PNG
(CHEMBL2418747)
Show SMILES Cc1nn(Cc2cccc(F)c2)c(C)c1-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H21FN6/c1-14-22(15(2)30(28-14)12-16-5-4-6-19(24)7-16)21-11-26-23-20(21)8-17(9-25-23)18-10-27-29(3)13-18/h4-11,13H,12H2,1-3H3,(H,25,26)
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n/an/a 31n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439168
PNG
(CHEMBL2418755)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(c4)C#N)c3)c2c1
Show InChI InChI=1S/C22H17N7/c1-28-13-18(9-26-28)17-6-20-21(11-25-22(20)24-8-17)19-10-27-29(14-19)12-16-4-2-3-15(5-16)7-23/h2-6,8-11,13-14H,12H2,1H3,(H,24,25)
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n/an/a 32n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439163
PNG
(CHEMBL2418760)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(O)c4)c3)c2c1
Show InChI InChI=1S/C21H18N6O/c1-26-12-16(8-24-26)15-6-19-20(10-23-21(19)22-7-15)17-9-25-27(13-17)11-14-3-2-4-18(28)5-14/h2-10,12-13,28H,11H2,1H3,(H,22,23)
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n/an/a 41n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439159
PNG
(CHEMBL2418748)
Show SMILES Cc1nn(Cc2cc(F)ccc2F)c(C)c1-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H20F2N6/c1-13-22(14(2)31(29-13)12-16-6-18(24)4-5-21(16)25)20-10-27-23-19(20)7-15(8-26-23)17-9-28-30(3)11-17/h4-11H,12H2,1-3H3,(H,26,27)
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n/an/a 63n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439156
PNG
(CHEMBL2418753)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)cc4)c3)c2c1
Show InChI InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-2-4-18(22)5-3-14/h2-10,12-13H,11H2,1H3,(H,23,24)
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n/an/a 70n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439165
PNG
(CHEMBL2418758)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(c4)[N+]([O-])=O)c3)c2c1
Show InChI InChI=1S/C21H17N7O2/c1-26-12-16(8-24-26)15-6-19-20(10-23-21(19)22-7-15)17-9-25-27(13-17)11-14-3-2-4-18(5-14)28(29)30/h2-10,12-13H,11H2,1H3,(H,22,23)
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n/an/a 70n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439153
PNG
(CHEMBL2418762)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)c(F)c4)c3)c2c1
Show InChI InChI=1S/C21H16F2N6/c1-28-11-15(7-26-28)14-5-17-18(9-25-21(17)24-6-14)16-8-27-29(12-16)10-13-2-3-19(22)20(23)4-13/h2-9,11-12H,10H2,1H3,(H,24,25)
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n/an/a 84n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439169
PNG
(CHEMBL2418751)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccccc4F)c3)c2c1
Show InChI InChI=1S/C21H17FN6/c1-27-11-16(8-25-27)15-6-18-19(10-24-21(18)23-7-15)17-9-26-28(13-17)12-14-4-2-3-5-20(14)22/h2-11,13H,12H2,1H3,(H,23,24)
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Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439170
PNG
(CHEMBL2418750)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccccc4)c3)c2c1
Show InChI InChI=1S/C21H18N6/c1-26-13-17(9-24-26)16-7-19-20(11-23-21(19)22-8-16)18-10-25-27(14-18)12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,23)
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n/an/a 90n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439166
PNG
(CHEMBL2418757)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(c4)C(O)=O)c3)c2c1
Show InChI InChI=1S/C22H18N6O2/c1-27-12-17(8-25-27)16-6-19-20(10-24-21(19)23-7-16)18-9-26-28(13-18)11-14-3-2-4-15(5-14)22(29)30/h2-10,12-13H,11H2,1H3,(H,23,24)(H,29,30)
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n/an/a 98n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439157
PNG
(CHEMBL2418752)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(F)c4)c3)c2c1
Show InChI InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11H2,1H3,(H,23,24)
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Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated Stat3 level after 6 hrs by Western blotting analysis


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439157
PNG
(CHEMBL2418752)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(F)c4)c3)c2c1
Show InChI InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11H2,1H3,(H,23,24)
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n/an/a 220n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated ALK level after 6 hrs by Western blotting analysis


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439167
PNG
(CHEMBL2418756)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c2c1
Show InChI InChI=1S/C22H17F3N6/c1-30-12-16(8-28-30)15-6-19-20(10-27-21(19)26-7-15)17-9-29-31(13-17)11-14-3-2-4-18(5-14)22(23,24)25/h2-10,12-13H,11H2,1H3,(H,26,27)
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n/an/a 247n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439154
PNG
(CHEMBL2418761)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)ccc4F)c3)c2c1
Show InChI InChI=1S/C21H16F2N6/c1-28-10-15(7-26-28)13-5-18-19(9-25-21(18)24-6-13)16-8-27-29(12-16)11-14-4-17(22)2-3-20(14)23/h2-10,12H,11H2,1H3,(H,24,25)
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n/an/a 900n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated ALK level after 6 hrs by Western blotting analysis


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439153
PNG
(CHEMBL2418762)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)c(F)c4)c3)c2c1
Show InChI InChI=1S/C21H16F2N6/c1-28-11-15(7-26-28)14-5-17-18(9-25-21(17)24-6-14)16-8-27-29(12-16)10-13-2-3-19(22)20(23)4-13/h2-9,11-12H,10H2,1H3,(H,24,25)
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n/an/a 986n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated Stat3 level after 6 hrs by Western blotting analysis


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439155
PNG
(CHEMBL2418754)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(Cl)c4)c3)c2c1
Show InChI InChI=1S/C21H17ClN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11H2,1H3,(H,23,24)
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n/an/a 986n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated Stat3 level after 6 hrs by Western blotting analysis


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439154
PNG
(CHEMBL2418761)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)ccc4F)c3)c2c1
Show InChI InChI=1S/C21H16F2N6/c1-28-10-15(7-26-28)13-5-18-19(9-25-21(18)24-6-13)16-8-27-29(12-16)11-14-4-17(22)2-3-20(14)23/h2-10,12H,11H2,1H3,(H,24,25)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated Stat3 level after 6 hrs by Western blotting analysis


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439156
PNG
(CHEMBL2418753)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)cc4)c3)c2c1
Show InChI InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-2-4-18(22)5-3-14/h2-10,12-13H,11H2,1H3,(H,23,24)
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n/an/a 3.01E+3n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated Stat3 level after 6 hrs by Western blotting analysis


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439155
PNG
(CHEMBL2418754)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(Cl)c4)c3)c2c1
Show InChI InChI=1S/C21H17ClN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11H2,1H3,(H,23,24)
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n/an/a 3.12E+3n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated ALK level after 6 hrs by Western blotting analysis


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439153
PNG
(CHEMBL2418762)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)c(F)c4)c3)c2c1
Show InChI InChI=1S/C21H16F2N6/c1-28-11-15(7-26-28)14-5-17-18(9-25-21(17)24-6-14)16-8-27-29(12-16)10-13-2-3-19(22)20(23)4-13/h2-9,11-12H,10H2,1H3,(H,24,25)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated ALK level after 6 hrs by Western blotting analysis


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50439156
PNG
(CHEMBL2418753)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)cc4)c3)c2c1
Show InChI InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-2-4-18(22)5-3-14/h2-10,12-13H,11H2,1H3,(H,23,24)
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n/an/a 3.91E+3n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated ALK level after 6 hrs by Western blotting analysis


Bioorg Med Chem Lett 23: 4911-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%