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PubMed code 26235945

Compile data set for download or QSAR
Found 58 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))
BDBM50116682
PNG
(CHEMBL3608525)
Show SMILES COc1cc2OCCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H26ClN5O4S/c1-14(2)34(30,31)21-7-5-4-6-17(21)27-22-16(24)13-26-23(29-22)28-18-10-15-12-25-8-9-33-19(15)11-20(18)32-3/h4-7,10-11,13-14,25H,8-9,12H2,1-3H3,(H2,26,27,28,29)
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n/an/a 1.5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116680
PNG
(CHEMBL3608523 | US10053458, 56)
Show SMILES COc1cc2CCCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-9-5-4-8-19(22)28-23-18(25)14-27-24(30-23)29-20-11-17-13-26-10-6-7-16(17)12-21(20)33-3/h4-5,8-9,11-12,14-15,26H,6-7,10,13H2,1-3H3,(H2,27,28,29,30)
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n/an/a 1.60n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116681
PNG
(CHEMBL3608524 | US10053458, 65)
Show SMILES COc1cc2CCNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-7-5-4-6-19(22)28-23-18(25)14-27-24(30-23)29-20-12-16-8-10-26-11-9-17(16)13-21(20)33-3/h4-7,12-15,26H,8-11H2,1-3H3,(H2,27,28,29,30)
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n/an/a 1.60n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116679
PNG
(CHEMBL3608522 | US10053458, 47)
Show SMILES COc1cc2CNCCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-9-5-4-8-19(22)28-23-18(25)14-27-24(30-23)29-20-11-16-7-6-10-26-13-17(16)12-21(20)33-3/h4-5,8-9,11-12,14-15,26H,6-7,10,13H2,1-3H3,(H2,27,28,29,30)
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n/an/a 1.70n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116681
PNG
(CHEMBL3608524 | US10053458, 65)
Show SMILES COc1cc2CCNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-7-5-4-6-19(22)28-23-18(25)14-27-24(30-23)29-20-12-16-8-10-26-11-9-17(16)13-21(20)33-3/h4-7,12-15,26H,8-11H2,1-3H3,(H2,27,28,29,30)
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n/an/a 1.80n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50116681
PNG
(CHEMBL3608524 | US10053458, 65)
Show SMILES COc1cc2CCNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-7-5-4-6-19(22)28-23-18(25)14-27-24(30-23)29-20-12-16-8-10-26-11-9-17(16)13-21(20)33-3/h4-7,12-15,26H,8-11H2,1-3H3,(H2,27,28,29,30)
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n/an/a 2n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116679
PNG
(CHEMBL3608522 | US10053458, 47)
Show SMILES COc1cc2CNCCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-9-5-4-8-19(22)28-23-18(25)14-27-24(30-23)29-20-11-16-7-6-10-26-13-17(16)12-21(20)33-3/h4-5,8-9,11-12,14-15,26H,6-7,10,13H2,1-3H3,(H2,27,28,29,30)
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n/an/a 2.70n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116665
PNG
(CHEMBL3608519 | US10053458, 48)
Show SMILES COc1cc2c(CCCNC2=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H26ClN5O4S/c1-14(2)35(32,33)21-9-5-4-8-18(21)28-22-17(25)13-27-24(30-22)29-19-11-15-7-6-10-26-23(31)16(15)12-20(19)34-3/h4-5,8-9,11-14H,6-7,10H2,1-3H3,(H,26,31)(H2,27,28,29,30)
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n/an/a 2.70n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116665
PNG
(CHEMBL3608519 | US10053458, 48)
Show SMILES COc1cc2c(CCCNC2=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H26ClN5O4S/c1-14(2)35(32,33)21-9-5-4-8-18(21)28-22-17(25)13-27-24(30-22)29-19-11-15-7-6-10-26-23(31)16(15)12-20(19)34-3/h4-5,8-9,11-14H,6-7,10H2,1-3H3,(H,26,31)(H2,27,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116680
PNG
(CHEMBL3608523 | US10053458, 56)
Show SMILES COc1cc2CCCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-9-5-4-8-19(22)28-23-18(25)14-27-24(30-23)29-20-11-17-13-26-10-6-7-16(17)12-21(20)33-3/h4-5,8-9,11-12,14-15,26H,6-7,10,13H2,1-3H3,(H2,27,28,29,30)
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n/an/a 3.40n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116671
PNG
(CHEMBL3608520 | US10053458, 57)
Show SMILES COc1cc2CCCNC(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H26ClN5O4S/c1-14(2)35(32,33)21-9-5-4-8-18(21)28-22-17(25)13-27-24(30-22)29-19-12-16-15(11-20(19)34-3)7-6-10-26-23(16)31/h4-5,8-9,11-14H,6-7,10H2,1-3H3,(H,26,31)(H2,27,28,29,30)
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n/an/a 4.40n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50116680
PNG
(CHEMBL3608523 | US10053458, 56)
Show SMILES COc1cc2CCCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-9-5-4-8-19(22)28-23-18(25)14-27-24(30-23)29-20-11-17-13-26-10-6-7-16(17)12-21(20)33-3/h4-5,8-9,11-12,14-15,26H,6-7,10,13H2,1-3H3,(H2,27,28,29,30)
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n/an/a 5.10n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116678
PNG
(CHEMBL3608521 | US10053458, 66)
Show SMILES COc1cc2CC(=O)NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H26ClN5O4S/c1-14(2)35(32,33)21-7-5-4-6-18(21)28-23-17(25)13-27-24(30-23)29-19-10-15-8-9-26-22(31)12-16(15)11-20(19)34-3/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,26,31)(H2,27,28,29,30)
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n/an/a 5.20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50116679
PNG
(CHEMBL3608522 | US10053458, 47)
Show SMILES COc1cc2CNCCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-15(2)34(31,32)22-9-5-4-8-19(22)28-23-18(25)14-27-24(30-23)29-20-11-16-7-6-10-26-13-17(16)12-21(20)33-3/h4-5,8-9,11-12,14-15,26H,6-7,10,13H2,1-3H3,(H2,27,28,29,30)
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n/an/a 5.20n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116682
PNG
(CHEMBL3608525)
Show SMILES COc1cc2OCCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H26ClN5O4S/c1-14(2)34(30,31)21-7-5-4-6-17(21)27-22-16(24)13-26-23(29-22)28-18-10-15-12-25-8-9-33-19(15)11-20(18)32-3/h4-7,10-11,13-14,25H,8-9,12H2,1-3H3,(H2,26,27,28,29)
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n/an/a 5.80n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50116678
PNG
(CHEMBL3608521 | US10053458, 66)
Show SMILES COc1cc2CC(=O)NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H26ClN5O4S/c1-14(2)35(32,33)21-7-5-4-6-18(21)28-23-17(25)13-27-24(30-23)29-19-10-15-8-9-26-22(31)12-16(15)11-20(19)34-3/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,26,31)(H2,27,28,29,30)
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n/an/a 11n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50116682
PNG
(CHEMBL3608525)
Show SMILES COc1cc2OCCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H26ClN5O4S/c1-14(2)34(30,31)21-7-5-4-6-17(21)27-22-16(24)13-26-23(29-22)28-18-10-15-12-25-8-9-33-19(15)11-20(18)32-3/h4-7,10-11,13-14,25H,8-9,12H2,1-3H3,(H2,26,27,28,29)
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n/an/a 12n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116671
PNG
(CHEMBL3608520 | US10053458, 57)
Show SMILES COc1cc2CCCNC(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H26ClN5O4S/c1-14(2)35(32,33)21-9-5-4-8-18(21)28-22-17(25)13-27-24(30-22)29-19-12-16-15(11-20(19)34-3)7-6-10-26-23(16)31/h4-5,8-9,11-14H,6-7,10H2,1-3H3,(H,26,31)(H2,27,28,29,30)
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n/an/a 12n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50436850
PNG
(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)
Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
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n/an/a 14n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116678
PNG
(CHEMBL3608521 | US10053458, 66)
Show SMILES COc1cc2CC(=O)NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H26ClN5O4S/c1-14(2)35(32,33)21-7-5-4-6-18(21)28-23-17(25)13-27-24(30-23)29-19-10-15-8-9-26-22(31)12-16(15)11-20(19)34-3/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,26,31)(H2,27,28,29,30)
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n/an/a 15n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50116671
PNG
(CHEMBL3608520 | US10053458, 57)
Show SMILES COc1cc2CCCNC(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H26ClN5O4S/c1-14(2)35(32,33)21-9-5-4-8-18(21)28-22-17(25)13-27-24(30-22)29-19-12-16-15(11-20(19)34-3)7-6-10-26-23(16)31/h4-5,8-9,11-14H,6-7,10H2,1-3H3,(H,26,31)(H2,27,28,29,30)
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n/an/a 21n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50116665
PNG
(CHEMBL3608519 | US10053458, 48)
Show SMILES COc1cc2c(CCCNC2=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H26ClN5O4S/c1-14(2)35(32,33)21-9-5-4-8-18(21)28-22-17(25)13-27-24(30-22)29-19-11-15-7-6-10-26-23(31)16(15)12-20(19)34-3/h4-5,8-9,11-14H,6-7,10H2,1-3H3,(H,26,31)(H2,27,28,29,30)
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n/an/a 25n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50436850
PNG
(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)
Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
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n/an/a 29n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin receptor


(Homo sapiens (human))
BDBM50436850
PNG
(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)
Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
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n/an/a 93n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116683
PNG
(CHEMBL3608526 | US10053458, 49)
Show SMILES CCN1CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1
Show InChI InChI=1S/C26H32ClN5O3S/c1-5-32-12-8-9-18-13-22(23(35-4)14-19(18)16-32)30-26-28-15-20(27)25(31-26)29-21-10-6-7-11-24(21)36(33,34)17(2)3/h6-7,10-11,13-15,17H,5,8-9,12,16H2,1-4H3,(H2,28,29,30,31)
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n/an/a 390n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116696
PNG
(CHEMBL3608534 | US10053458, 52)
Show SMILES COc1cc2CN(CCO)CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-9-5-4-8-21(24)29-25-20(27)15-28-26(31-25)30-22-13-18-7-6-10-32(11-12-33)16-19(18)14-23(22)36-3/h4-5,8-9,13-15,17,33H,6-7,10-12,16H2,1-3H3,(H2,28,29,30,31)
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n/an/a 600n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116696
PNG
(CHEMBL3608534 | US10053458, 52)
Show SMILES COc1cc2CN(CCO)CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-9-5-4-8-21(24)29-25-20(27)15-28-26(31-25)30-22-13-18-7-6-10-32(11-12-33)16-19(18)14-23(22)36-3/h4-5,8-9,13-15,17,33H,6-7,10-12,16H2,1-3H3,(H2,28,29,30,31)
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n/an/a 700n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116699
PNG
(CHEMBL3608642 | US10053458, 53)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show InChI InChI=1S/C29H37ClN6O3S/c1-19(2)40(37,38)27-9-5-4-8-24(27)33-28-23(30)17-32-29(35-28)34-25-15-20-7-6-14-36(22-10-12-31-13-11-22)18-21(20)16-26(25)39-3/h4-5,8-9,15-17,19,22,31H,6-7,10-14,18H2,1-3H3,(H2,32,33,34,35)
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n/an/a 700n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116692
PNG
(CHEMBL3608530 | US10053458, 59)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-16(2)37(34,35)24-10-6-5-9-21(24)29-25-20(27)14-28-26(31-25)30-22-12-19-15-32(17(3)33)11-7-8-18(19)13-23(22)36-4/h5-6,9-10,12-14,16H,7-8,11,15H2,1-4H3,(H2,28,29,30,31)
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n/an/a 800n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116685
PNG
(CHEMBL3608644 | US10053458, 54)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCOCC1
Show InChI InChI=1S/C29H36ClN5O4S/c1-19(2)40(36,37)27-9-5-4-8-24(27)32-28-23(30)17-31-29(34-28)33-25-15-20-7-6-12-35(22-10-13-39-14-11-22)18-21(20)16-26(25)38-3/h4-5,8-9,15-17,19,22H,6-7,10-14,18H2,1-3H3,(H2,31,32,33,34)
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n/an/a 800n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116690
PNG
(CHEMBL3608528 | US10053458, 67)
Show SMILES CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2CC1
Show InChI InChI=1S/C26H32ClN5O3S/c1-5-32-12-10-18-14-22(23(35-4)15-19(18)11-13-32)30-26-28-16-20(27)25(31-26)29-21-8-6-7-9-24(21)36(33,34)17(2)3/h6-9,14-17H,5,10-13H2,1-4H3,(H2,28,29,30,31)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116693
PNG
(CHEMBL3608531 | US10053458, 51)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
Show InChI InChI=1S/C26H30ClN5O5S/c1-16(2)38(35,36)23-9-5-4-8-20(23)29-25-19(27)13-28-26(31-25)30-21-11-17-7-6-10-32(24(34)15-33)14-18(17)12-22(21)37-3/h4-5,8-9,11-13,16,33H,6-7,10,14-15H2,1-3H3,(H2,28,29,30,31)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116699
PNG
(CHEMBL3608642 | US10053458, 53)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show InChI InChI=1S/C29H37ClN6O3S/c1-19(2)40(37,38)27-9-5-4-8-24(27)33-28-23(30)17-32-29(35-28)34-25-15-20-7-6-14-36(22-10-12-31-13-11-22)18-21(20)16-26(25)39-3/h4-5,8-9,15-17,19,22,31H,6-7,10-14,18H2,1-3H3,(H2,32,33,34,35)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116685
PNG
(CHEMBL3608644 | US10053458, 54)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCOCC1
Show InChI InChI=1S/C29H36ClN5O4S/c1-19(2)40(36,37)27-9-5-4-8-24(27)32-28-23(30)17-31-29(34-28)33-25-15-20-7-6-12-35(22-10-13-39-14-11-22)18-21(20)16-26(25)38-3/h4-5,8-9,15-17,19,22H,6-7,10-14,18H2,1-3H3,(H2,31,32,33,34)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116693
PNG
(CHEMBL3608531 | US10053458, 51)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
Show InChI InChI=1S/C26H30ClN5O5S/c1-16(2)38(35,36)23-9-5-4-8-20(23)29-25-19(27)13-28-26(31-25)30-21-11-17-7-6-10-32(24(34)15-33)14-18(17)12-22(21)37-3/h4-5,8-9,11-13,16,33H,6-7,10,14-15H2,1-3H3,(H2,28,29,30,31)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116683
PNG
(CHEMBL3608526 | US10053458, 49)
Show SMILES CCN1CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1
Show InChI InChI=1S/C26H32ClN5O3S/c1-5-32-12-8-9-18-13-22(23(35-4)14-19(18)16-32)30-26-28-15-20(27)25(31-26)29-21-10-6-7-11-24(21)36(33,34)17(2)3/h6-7,10-11,13-15,17H,5,8-9,12,16H2,1-4H3,(H2,28,29,30,31)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116686
PNG
(CHEMBL3608313 | US10053458, 63)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCOCC1
Show InChI InChI=1S/C29H36ClN5O4S/c1-19(2)40(36,37)27-9-5-4-8-24(27)32-28-23(30)17-31-29(34-28)33-25-15-21-18-35(22-10-13-39-14-11-22)12-6-7-20(21)16-26(25)38-3/h4-5,8-9,15-17,19,22H,6-7,10-14,18H2,1-3H3,(H2,31,32,33,34)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116697
PNG
(CHEMBL3608535 | US10053458, 61)
Show SMILES COc1cc2CCCN(CCO)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-9-5-4-8-21(24)29-25-20(27)15-28-26(31-25)30-22-13-19-16-32(11-12-33)10-6-7-18(19)14-23(22)36-3/h4-5,8-9,13-15,17,33H,6-7,10-12,16H2,1-3H3,(H2,28,29,30,31)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116691
PNG
(CHEMBL3608529 | US10053458, 50)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-16(2)37(34,35)24-10-6-5-9-21(24)29-25-20(27)14-28-26(31-25)30-22-12-18-8-7-11-32(17(3)33)15-19(18)13-23(22)36-4/h5-6,9-10,12-14,16H,7-8,11,15H2,1-4H3,(H2,28,29,30,31)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116689
PNG
(CHEMBL3608527 | US10053458, 58)
Show SMILES CCN1CCCc2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C1
Show InChI InChI=1S/C26H32ClN5O3S/c1-5-32-12-8-9-18-14-23(35-4)22(13-19(18)16-32)30-26-28-15-20(27)25(31-26)29-21-10-6-7-11-24(21)36(33,34)17(2)3/h6-7,10-11,13-15,17H,5,8-9,12,16H2,1-4H3,(H2,28,29,30,31)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116687
PNG
(CHEMBL3608645 | US10053458, 55)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1COC1
Show InChI InChI=1S/C27H32ClN5O4S/c1-17(2)38(34,35)25-9-5-4-8-22(25)30-26-21(28)13-29-27(32-26)31-23-11-18-7-6-10-33(20-15-37-16-20)14-19(18)12-24(23)36-3/h4-5,8-9,11-13,17,20H,6-7,10,14-16H2,1-3H3,(H2,29,30,31,32)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116695
PNG
(CHEMBL3608533 | US10053458, 68)
Show SMILES COc1cc2CCN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
Show InChI InChI=1S/C26H30ClN5O5S/c1-16(2)38(35,36)23-7-5-4-6-20(23)29-25-19(27)14-28-26(31-25)30-21-12-17-8-10-32(24(34)15-33)11-9-18(17)13-22(21)37-3/h4-7,12-14,16,33H,8-11,15H2,1-3H3,(H2,28,29,30,31)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116687
PNG
(CHEMBL3608645 | US10053458, 55)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1COC1
Show InChI InChI=1S/C27H32ClN5O4S/c1-17(2)38(34,35)25-9-5-4-8-22(25)30-26-21(28)13-29-27(32-26)31-23-11-18-7-6-10-33(20-15-37-16-20)14-19(18)12-24(23)36-3/h4-5,8-9,11-13,17,20H,6-7,10,14-16H2,1-3H3,(H2,29,30,31,32)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116684
PNG
(CHEMBL3608643 | US10053458, 62)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show InChI InChI=1S/C29H37ClN6O3S/c1-19(2)40(37,38)27-9-5-4-8-24(27)33-28-23(30)17-32-29(35-28)34-25-15-21-18-36(22-10-12-31-13-11-22)14-6-7-20(21)16-26(25)39-3/h4-5,8-9,15-17,19,22,31H,6-7,10-14,18H2,1-3H3,(H2,32,33,34,35)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116691
PNG
(CHEMBL3608529 | US10053458, 50)
Show SMILES COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-16(2)37(34,35)24-10-6-5-9-21(24)29-25-20(27)14-28-26(31-25)30-22-12-18-8-7-11-32(17(3)33)15-19(18)13-23(22)36-4/h5-6,9-10,12-14,16H,7-8,11,15H2,1-4H3,(H2,28,29,30,31)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116698
PNG
(CHEMBL3608641 | US10053458, 69)
Show SMILES COc1cc2CCN(CCO)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-7-5-4-6-21(24)29-25-20(27)16-28-26(31-25)30-22-14-18-8-10-32(12-13-33)11-9-19(18)15-23(22)36-3/h4-7,14-17,33H,8-13H2,1-3H3,(H2,28,29,30,31)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116688
PNG
(CHEMBL3608646 | US10053458, 64)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1COC1
Show InChI InChI=1S/C27H32ClN5O4S/c1-17(2)38(34,35)25-9-5-4-8-22(25)30-26-21(28)13-29-27(32-26)31-23-11-19-14-33(20-15-37-16-20)10-6-7-18(19)12-24(23)36-3/h4-5,8-9,11-13,17,20H,6-7,10,14-16H2,1-3H3,(H2,29,30,31,32)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116688
PNG
(CHEMBL3608646 | US10053458, 64)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1COC1
Show InChI InChI=1S/C27H32ClN5O4S/c1-17(2)38(34,35)25-9-5-4-8-22(25)30-26-21(28)13-29-27(32-26)31-23-11-19-14-33(20-15-37-16-20)10-6-7-18(19)12-24(23)36-3/h4-5,8-9,11-13,17,20H,6-7,10,14-16H2,1-3H3,(H2,29,30,31,32)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116684
PNG
(CHEMBL3608643 | US10053458, 62)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
Show InChI InChI=1S/C29H37ClN6O3S/c1-19(2)40(37,38)27-9-5-4-8-24(27)33-28-23(30)17-32-29(35-28)34-25-15-21-18-36(22-10-12-31-13-11-22)14-6-7-20(21)16-26(25)39-3/h4-5,8-9,15-17,19,22,31H,6-7,10-14,18H2,1-3H3,(H2,32,33,34,35)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116694
PNG
(CHEMBL3608532 | US10053458, 60)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
Show InChI InChI=1S/C26H30ClN5O5S/c1-16(2)38(35,36)23-9-5-4-8-20(23)29-25-19(27)13-28-26(31-25)30-21-11-18-14-32(24(34)15-33)10-6-7-17(18)12-22(21)37-3/h4-5,8-9,11-13,16,33H,6-7,10,14-15H2,1-3H3,(H2,28,29,30,31)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116690
PNG
(CHEMBL3608528 | US10053458, 67)
Show SMILES CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2CC1
Show InChI InChI=1S/C26H32ClN5O3S/c1-5-32-12-10-18-14-22(23(35-4)15-19(18)11-13-32)30-26-28-16-20(27)25(31-26)29-21-8-6-7-9-24(21)36(33,34)17(2)3/h6-9,14-17H,5,10-13H2,1-4H3,(H2,28,29,30,31)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116689
PNG
(CHEMBL3608527 | US10053458, 58)
Show SMILES CCN1CCCc2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C1
Show InChI InChI=1S/C26H32ClN5O3S/c1-5-32-12-8-9-18-14-23(35-4)22(13-19(18)16-32)30-26-28-15-20(27)25(31-26)29-21-10-6-7-11-24(21)36(33,34)17(2)3/h6-7,10-11,13-15,17H,5,8-9,12,16H2,1-4H3,(H2,28,29,30,31)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116686
PNG
(CHEMBL3608313 | US10053458, 63)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCOCC1
Show InChI InChI=1S/C29H36ClN5O4S/c1-19(2)40(36,37)27-9-5-4-8-24(27)32-28-23(30)17-31-29(34-28)33-25-15-21-18-35(22-10-13-39-14-11-22)12-6-7-20(21)16-26(25)38-3/h4-5,8-9,15-17,19,22H,6-7,10-14,18H2,1-3H3,(H2,31,32,33,34)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116692
PNG
(CHEMBL3608530 | US10053458, 59)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
Show InChI InChI=1S/C26H30ClN5O4S/c1-16(2)37(34,35)24-10-6-5-9-21(24)29-25-20(27)14-28-26(31-25)30-22-12-19-15-32(17(3)33)11-7-8-18(19)13-23(22)36-4/h5-6,9-10,12-14,16H,7-8,11,15H2,1-4H3,(H2,28,29,30,31)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116695
PNG
(CHEMBL3608533 | US10053458, 68)
Show SMILES COc1cc2CCN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
Show InChI InChI=1S/C26H30ClN5O5S/c1-16(2)38(35,36)23-7-5-4-6-20(23)29-25-19(27)14-28-26(31-25)30-21-12-17-8-10-32(24(34)15-33)11-9-18(17)13-22(21)37-3/h4-7,12-14,16,33H,8-11,15H2,1-3H3,(H2,28,29,30,31)
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PC cid
PC sid
UniChem

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



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116698
PNG
(CHEMBL3608641 | US10053458, 69)
Show SMILES COc1cc2CCN(CCO)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-7-5-4-6-21(24)29-25-20(27)16-28-26(31-25)30-22-14-18-8-10-32(12-13-33)11-9-19(18)15-23(22)36-3/h4-7,14-17,33H,8-13H2,1-3H3,(H2,28,29,30,31)
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PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116694
PNG
(CHEMBL3608532 | US10053458, 60)
Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
Show InChI InChI=1S/C26H30ClN5O5S/c1-16(2)38(35,36)23-9-5-4-8-20(23)29-25-19(27)13-28-26(31-25)30-21-11-18-14-32(24(34)15-33)10-6-7-17(18)12-22(21)37-3/h4-5,8-9,11-13,16,33H,6-7,10,14-15H2,1-3H3,(H2,28,29,30,31)
PDB

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PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50116697
PNG
(CHEMBL3608535 | US10053458, 61)
Show SMILES COc1cc2CCCN(CCO)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O4S/c1-17(2)37(34,35)24-9-5-4-8-21(24)29-25-20(27)15-28-26(31-25)30-22-13-19-16-32(11-12-33)10-6-7-18(19)14-23(22)36-3/h4-5,8-9,13-15,17,33H,6-7,10-12,16H2,1-3H3,(H2,28,29,30,31)
PDB

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Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 25: 3992-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.004
BindingDB Entry DOI: 10.7270/Q2RF5WTB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%