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PubMed code 22172029

Compile data set for download or QSAR
Found 29 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))		BDBM50363253
PNG
(CHEMBL1946804)
Show SMILES COc1cc(N2CCN(C)CC2)c2CCc3ccc(N(C)S(C)(=O)=O)c(Nc4nc(Nc1c2)ncc4Cl)c3
Show InChI InChI=1S/C26H32ClN7O3S/c1-32-9-11-34(12-10-32)23-15-24(37-3)21-14-18(23)7-5-17-6-8-22(33(2)38(4,35)36)20(13-17)29-25-19(27)16-28-26(30-21)31-25/h6,8,13-16H,5,7,9-12H2,1-4H3,(H2,28,29,30,31)
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n/an/a 0.510n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363252
PNG
(CHEMBL1946803)
Show SMILES COc1cc(N2CCN(C)CC2)c2CCc3ccc(c(Nc4nc(Nc1c2)ncc4Cl)c3)S(=O)(=O)C(C)C
Show InChI InChI=1S/C27H33ClN6O3S/c1-17(2)38(35,36)25-8-6-18-5-7-19-14-21(24(37-4)15-23(19)34-11-9-33(3)10-12-34)31-27-29-16-20(28)26(32-27)30-22(25)13-18/h6,8,13-17H,5,7,9-12H2,1-4H3,(H2,29,30,31,32)
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n/an/a 1.5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363247
PNG
(CHEMBL1946614)
Show SMILES COc1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1
Show InChI InChI=1S/C24H27ClN6O/c1-30-9-11-31(12-10-30)21-7-6-18-14-17(21)5-3-16-4-8-22(32-2)20(13-16)28-23-19(25)15-26-24(27-18)29-23/h4,6-8,13-15H,3,5,9-12H2,1-2H3,(H2,26,27,28,29)
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n/an/a 3.10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363250
PNG
(CHEMBL1946801)
Show SMILES CN(c1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H30ClN7O2S/c1-31-10-12-33(13-11-31)22-9-7-19-15-18(22)6-4-17-5-8-23(32(2)36(3,34)35)21(14-17)29-24-20(26)16-27-25(28-19)30-24/h5,7-9,14-16H,4,6,10-13H2,1-3H3,(H2,27,28,29,30)
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n/an/a 3.40n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363249
PNG
(CHEMBL1946800)
Show SMILES CC(C)S(=O)(=O)c1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1
Show InChI InChI=1S/C26H31ClN6O2S/c1-17(2)36(34,35)24-9-5-18-4-6-19-15-20(7-8-23(19)33-12-10-32(3)11-13-33)29-26-28-16-21(27)25(31-26)30-22(24)14-18/h5,7-9,14-17H,4,6,10-13H2,1-3H3,(H2,28,29,30,31)
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n/an/a 3.70n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363251
PNG
(CHEMBL1946802)
Show SMILES COc1cc(N2CCN(C)CC2)c2CCc3cccc(Nc4nc(Nc1c2)ncc4Cl)c3
Show InChI InChI=1S/C24H27ClN6O/c1-30-8-10-31(11-9-30)21-14-22(32-2)20-13-17(21)7-6-16-4-3-5-18(12-16)27-23-19(25)15-26-24(28-20)29-23/h3-5,12-15H,6-11H2,1-2H3,(H2,26,27,28,29)
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n/an/a 5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363256
PNG
(CHEMBL1947001)
Show SMILES COc1cc(N2CCN(C)CC2)c2cc1[nH]c1ncc(Cl)c(n1)[nH]c1cc(ccc1N(C)S(C)(=O)=O)cc2
Show InChI InChI=1S/C26H30ClN7O3S/c1-32-9-11-34(12-10-32)23-15-24(37-3)21-14-18(23)7-5-17-6-8-22(33(2)38(4,35)36)20(13-17)29-25-19(27)16-28-26(30-21)31-25/h5-8,13-16H,9-12H2,1-4H3,(H2,28,29,30,31)/b7-5-
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n/an/a 7n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50334597
PNG
(5-chloro-N2-(8-methoxy-3-(2-methoxyethyl)-2,3,4,5-...)
Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1
Show InChI InChI=1S/C29H37ClN6O4/c1-37-13-10-35-8-6-20-16-25(26(38-2)17-21(20)7-9-35)33-29-31-19-23(30)28(34-29)32-24-5-4-22(18-27(24)39-3)36-11-14-40-15-12-36/h4-5,16-19H,6-15H2,1-3H3,(H2,31,32,33,34)
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n/an/a 7n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363253
PNG
(CHEMBL1946804)
Show SMILES COc1cc(N2CCN(C)CC2)c2CCc3ccc(N(C)S(C)(=O)=O)c(Nc4nc(Nc1c2)ncc4Cl)c3
Show InChI InChI=1S/C26H32ClN7O3S/c1-32-9-11-34(12-10-32)23-15-24(37-3)21-14-18(23)7-5-17-6-8-22(33(2)38(4,35)36)20(13-17)29-25-19(27)16-28-26(30-21)31-25/h6,8,13-16H,5,7,9-12H2,1-4H3,(H2,28,29,30,31)
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n/an/a 10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human ALCL SUP-M2 cells after 2 to 3 hrs by sandwich ELISA

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363240
PNG
(CHEMBL1946608)
Show SMILES COc1ccccc1Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1Cl
Show InChI InChI=1S/C22H25ClN6O/c1-28-11-13-29(14-12-28)17-9-7-16(8-10-17)25-22-24-15-18(23)21(27-22)26-19-5-3-4-6-20(19)30-2/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,27)
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n/an/a 22n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363252
PNG
(CHEMBL1946803)
Show SMILES COc1cc(N2CCN(C)CC2)c2CCc3ccc(c(Nc4nc(Nc1c2)ncc4Cl)c3)S(=O)(=O)C(C)C
Show InChI InChI=1S/C27H33ClN6O3S/c1-17(2)38(35,36)25-8-6-18-5-7-19-14-21(24(37-4)15-23(19)34-11-9-33(3)10-12-34)31-27-29-16-20(28)26(32-27)30-22(25)13-18/h6,8,13-17H,5,7,9-12H2,1-4H3,(H2,29,30,31,32)
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n/an/a 30n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human ALCL SUP-M2 cells after 2 to 3 hrs by sandwich ELISA

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363248
PNG
(CHEMBL1946799)
Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1
Show InChI InChI=1S/C25H28ClN7O/c1-27-24(34)19-7-4-16-3-5-17-14-18(6-8-22(17)33-11-9-32(2)10-12-33)29-25-28-15-20(26)23(31-25)30-21(19)13-16/h4,6-8,13-15H,3,5,9-12H2,1-2H3,(H,27,34)(H2,28,29,30,31)
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n/an/a 35n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363239
PNG
(CHEMBL1946607)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C21H23ClN6/c1-27-11-13-28(14-12-27)18-9-7-17(8-10-18)25-21-23-15-19(22)20(26-21)24-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H2,23,24,25,26)
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n/an/a 67n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363249
PNG
(CHEMBL1946800)
Show SMILES CC(C)S(=O)(=O)c1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1
Show InChI InChI=1S/C26H31ClN6O2S/c1-17(2)36(34,35)24-9-5-18-4-6-19-15-20(7-8-23(19)33-12-10-32(3)11-13-33)29-26-28-16-21(27)25(31-26)30-22(24)14-18/h5,7-9,14-17H,4,6,10-13H2,1-3H3,(H2,28,29,30,31)
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n/an/a 70n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human ALCL SUP-M2 cells after 2 to 3 hrs by sandwich ELISA

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363244
PNG
(CHEMBL1946612)
Show SMILES CN1CCN(CC1)c1ccc2Nc3ncc(Cl)c(Nc4cccc(CCc1c2)c4)n3
Show InChI InChI=1S/C23H25ClN6/c1-29-9-11-30(12-10-29)21-8-7-19-14-17(21)6-5-16-3-2-4-18(13-16)26-22-20(24)15-25-23(27-19)28-22/h2-4,7-8,13-15H,5-6,9-12H2,1H3,(H2,25,26,27,28)
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n/an/a 92n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363240
PNG
(CHEMBL1946608)
Show SMILES COc1ccccc1Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1Cl
Show InChI InChI=1S/C22H25ClN6O/c1-28-11-13-29(14-12-28)17-9-7-16(8-10-17)25-22-24-15-18(23)21(27-22)26-19-5-3-4-6-20(19)30-2/h3-10,15H,11-14H2,1-2H3,(H2,24,25,26,27)
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n/an/a 100n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human ALCL SUP-M2 cells after 2 to 3 hrs by sandwich ELISA

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363250
PNG
(CHEMBL1946801)
Show SMILES CN(c1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1)S(C)(=O)=O
Show InChI InChI=1S/C25H30ClN7O2S/c1-31-10-12-33(13-11-31)22-9-7-19-15-18(22)6-4-17-5-8-23(32(2)36(3,34)35)21(14-17)29-24-20(26)16-27-25(28-19)30-24/h5,7-9,14-16H,4,6,10-13H2,1-3H3,(H2,27,28,29,30)
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n/an/a 120n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human ALCL SUP-M2 cells after 2 to 3 hrs by sandwich ELISA

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363256
PNG
(CHEMBL1947001)
Show SMILES COc1cc(N2CCN(C)CC2)c2cc1[nH]c1ncc(Cl)c(n1)[nH]c1cc(ccc1N(C)S(C)(=O)=O)cc2
Show InChI InChI=1S/C26H30ClN7O3S/c1-32-9-11-34(12-10-32)23-15-24(37-3)21-14-18(23)7-5-17-6-8-22(33(2)38(4,35)36)20(13-17)29-25-19(27)16-28-26(30-21)31-25/h5-8,13-16H,9-12H2,1-4H3,(H2,28,29,30,31)/b7-5-
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n/an/a 120n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human ALCL SUP-M2 cells after 2 to 3 hrs by sandwich ELISA

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50334597
PNG
(5-chloro-N2-(8-methoxy-3-(2-methoxyethyl)-2,3,4,5-...)
Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1
Show InChI InChI=1S/C29H37ClN6O4/c1-37-13-10-35-8-6-20-16-25(26(38-2)17-21(20)7-9-35)33-29-31-19-23(30)28(34-29)32-24-5-4-22(18-27(24)39-3)36-11-14-40-15-12-36/h4-5,16-19H,6-15H2,1-3H3,(H2,31,32,33,34)
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n/an/a 150n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human ALCL SUP-M2 cells after 2 to 3 hrs by sandwich ELISA

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363247
PNG
(CHEMBL1946614)
Show SMILES COc1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1
Show InChI InChI=1S/C24H27ClN6O/c1-30-9-11-31(12-10-30)21-7-6-18-14-17(21)5-3-16-4-8-22(32-2)20(13-16)28-23-19(25)15-26-24(27-18)29-23/h4,6-8,13-15H,3,5,9-12H2,1-2H3,(H2,26,27,28,29)
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n/an/a 150n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human ALCL SUP-M2 cells after 2 to 3 hrs by sandwich ELISA

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363255
PNG
(CHEMBL1947000)
Show SMILES COc1ccc2cc1[nH]c1nc(ncc1Cl)[nH]c1ccc(N3CCN(C)CC3)c(c1)cc2
Show InChI InChI=1S/C24H25ClN6O/c1-30-9-11-31(12-10-30)21-7-6-18-14-17(21)5-3-16-4-8-22(32-2)20(13-16)28-23-19(25)15-26-24(27-18)29-23/h3-8,13-15H,9-12H2,1-2H3,(H2,26,27,28,29)/b5-3-
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n/an/a 259n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363243
PNG
(CHEMBL1946611)
Show SMILES Clc1cnc2Nc3ccc(OCCN4CCCC4)c(CCc4cccc(Nc1n2)c4)c3
Show InChI InChI=1S/C24H26ClN5O/c25-21-16-26-24-28-20-8-9-22(31-13-12-30-10-1-2-11-30)18(15-20)7-6-17-4-3-5-19(14-17)27-23(21)29-24/h3-5,8-9,14-16H,1-2,6-7,10-13H2,(H2,26,27,28,29)
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n/an/a 283n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363245
PNG
(CHEMBL1944658)
Show SMILES COc1ccc2CCc3cccc(Nc4ncc(Cl)c(Nc1c2)n4)c3
Show InChI InChI=1S/C19H17ClN4O/c1-25-17-8-7-13-6-5-12-3-2-4-14(9-12)22-19-21-11-15(20)18(24-19)23-16(17)10-13/h2-4,7-11H,5-6H2,1H3,(H2,21,22,23,24)
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n/an/a 360n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363254
PNG
(CHEMBL1946999)
Show SMILES CN1CCN(CC1)c1ccc2cc1ccc1cccc(c1)[nH]c1nc(ncc1Cl)[nH]2
Show InChI InChI=1S/C23H23ClN6/c1-29-9-11-30(12-10-29)21-8-7-19-14-17(21)6-5-16-3-2-4-18(13-16)26-22-20(24)15-25-23(27-19)28-22/h2-8,13-15H,9-12H2,1H3,(H2,25,26,27,28)/b6-5-
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Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363251
PNG
(CHEMBL1946802)
Show SMILES COc1cc(N2CCN(C)CC2)c2CCc3cccc(Nc4nc(Nc1c2)ncc4Cl)c3
Show InChI InChI=1S/C24H27ClN6O/c1-30-8-10-31(11-9-30)21-14-22(32-2)20-13-17(21)7-6-16-4-3-5-18(12-16)27-23-19(25)15-26-24(28-20)29-23/h3-5,12-15H,6-11H2,1-2H3,(H2,26,27,28,29)
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n/an/a 800n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human ALCL SUP-M2 cells after 2 to 3 hrs by sandwich ELISA

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363246
PNG
(CHEMBL1946613)
Show SMILES COc1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCOCC1
Show InChI InChI=1S/C23H24ClN5O2/c1-30-21-7-3-15-2-4-16-13-17(5-6-20(16)29-8-10-31-11-9-29)26-23-25-14-18(24)22(28-23)27-19(21)12-15/h3,5-7,12-14H,2,4,8-11H2,1H3,(H2,25,26,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363248
PNG
(CHEMBL1946799)
Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1
Show InChI InChI=1S/C25H28ClN7O/c1-27-24(34)19-7-4-16-3-5-17-14-18(6-8-22(17)33-11-9-32(2)10-12-33)29-25-28-15-20(26)23(31-25)30-21(19)13-16/h4,6-8,13-15H,3,5,9-12H2,1-2H3,(H,27,34)(H2,28,29,30,31)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of NPM-ALK autophosphorylation in human ALCL SUP-M2 cells after 2 to 3 hrs by sandwich ELISA

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363242
PNG
(CHEMBL1946610)
Show SMILES Clc1cnc2Nc3ccc(N4CCOCC4)c(CCc4cccc(Nc1n2)c4)c3
Show InChI InChI=1S/C22H22ClN5O/c23-19-14-24-22-26-18-6-7-20(28-8-10-29-11-9-28)16(13-18)5-4-15-2-1-3-17(12-15)25-21(19)27-22/h1-3,6-7,12-14H,4-5,8-11H2,(H2,24,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50363241
PNG
(CHEMBL1946609)
Show SMILES Clc1cnc2Nc3cccc(CCc4cccc(Nc1n2)c4)c3
Show InChI InChI=1S/C18H15ClN4/c19-16-11-20-18-22-15-6-2-4-13(10-15)8-7-12-3-1-5-14(9-12)21-17(16)23-18/h1-6,9-11H,7-8H2,(H2,20,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of baculovirus expressed GST-tagged human ALK cytoplasmic domain using PLCgamma as substrate after 15 mins by time-resolved fluorescence a...

J Med Chem 55: 449-64 (2012)


Article DOI: 10.1021/jm201333e
BindingDB Entry DOI: 10.7270/Q2BP0370
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%