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PubMed code 21074994

Compile data set for download or QSAR
Found 46 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))
BDBM50334593
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35)
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334604
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-(2-methoxyethoxy)phe...)
Show SMILES COCCOc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1
Show InChI InChI=1S/C29H37ClN6O5/c1-35(2)27(37)18-36-10-8-19-14-24(25(39-4)15-20(19)9-11-36)33-29-31-17-22(30)28(34-29)32-23-7-6-21(16-26(23)40-5)41-13-12-38-3/h6-7,14-17H,8-13,18H2,1-5H3,(H2,31,32,33,34)
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334595
PNG
(5-chloro-N2,N4-bis(2-methoxy-4-morpholinophenyl)py...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1)N1CCOCC1
Show InChI InChI=1S/C26H31ClN6O4/c1-34-23-15-18(32-7-11-36-12-8-32)3-5-21(23)29-25-20(27)17-28-26(31-25)30-22-6-4-19(16-24(22)35-2)33-9-13-37-14-10-33/h3-6,15-17H,7-14H2,1-2H3,(H2,28,29,30,31)
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334601
PNG
(2-(7-(5-chloro-4-(2-methoxyphenylamino)pyrimidin-2...)
Show SMILES COc1ccccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl
Show InChI InChI=1S/C26H31ClN6O3/c1-32(2)24(34)16-33-11-9-17-13-21(23(36-4)14-18(17)10-12-33)30-26-28-15-19(27)25(31-26)29-20-7-5-6-8-22(20)35-3/h5-8,13-15H,9-12,16H2,1-4H3,(H2,28,29,30,31)
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334606
PNG
(2-(7-(5-chloro-4-(2,4-dimethoxyphenylamino)pyrimid...)
Show SMILES COc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1
Show InChI InChI=1S/C27H33ClN6O4/c1-33(2)25(35)16-34-10-8-17-12-22(23(37-4)13-18(17)9-11-34)31-27-29-15-20(28)26(32-27)30-21-7-6-19(36-3)14-24(21)38-5/h6-7,12-15H,8-11,16H2,1-5H3,(H2,29,30,31,32)
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n/an/a 5n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334594
PNG
(2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(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 ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334603
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)
Show SMILES CNC(=O)CN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1
Show InChI InChI=1S/C29H36ClN7O4/c1-31-27(38)18-36-8-6-19-14-24(25(39-2)15-20(19)7-9-36)34-29-32-17-22(30)28(35-29)33-23-5-4-21(16-26(23)40-3)37-10-12-41-13-11-37/h4-5,14-17H,6-13,18H2,1-3H3,(H,31,38)(H2,32,33,34,35)
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334602
PNG
(4-(5-chloro-2-(3-(2-(dimethylamino)-2-oxoethyl)-8-...)
Show SMILES COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)C(N)=O)n1
Show InChI InChI=1S/C27H32ClN7O4/c1-34(2)24(36)15-35-9-7-16-11-21(23(39-4)12-17(16)8-10-35)32-27-30-14-19(28)26(33-27)31-20-6-5-18(25(29)37)13-22(20)38-3/h5-6,11-14H,7-10,15H2,1-4H3,(H2,29,37)(H2,30,31,32,33)
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334605
PNG
(2-(7-(5-chloro-4-(4-cyano-2-methoxyphenylamino)pyr...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)C#N
Show InChI InChI=1S/C27H30ClN7O3/c1-34(2)25(36)16-35-9-7-18-12-22(24(38-4)13-19(18)8-10-35)32-27-30-15-20(28)26(33-27)31-21-6-5-17(14-29)11-23(21)37-3/h5-6,11-13,15H,7-10,16H2,1-4H3,(H2,30,31,32,33)
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n/an/a 7n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
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 ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334599
PNG
(5-chloro-N2-(8-methoxy-3-(2-(methylsulfonyl)ethyl)...)
Show SMILES COc1cc2CCN(CCS(C)(=O)=O)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1
Show InChI InChI=1S/C29H37ClN6O5S/c1-39-26-17-21-7-9-35(12-15-42(3,37)38)8-6-20(21)16-25(26)33-29-31-19-23(30)28(34-29)32-24-5-4-22(18-27(24)40-2)36-10-13-41-14-11-36/h4-5,16-19H,6-15H2,1-3H3,(H2,31,32,33,34)
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n/an/a 10n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334594
PNG
(2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)
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n/an/a 25n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334593
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35)
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n/an/a 30n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK by cell based assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334596
PNG
(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamino)p...)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C28H33ClN6O4/c1-4-35-23-11-10-22(26(38-3)19(23)6-5-7-25(35)36)32-28-30-17-20(29)27(33-28)31-21-9-8-18(16-24(21)37-2)34-12-14-39-15-13-34/h8-11,16-17H,4-7,12-15H2,1-3H3,(H2,30,31,32,33)
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n/an/a 34n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334604
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-(2-methoxyethoxy)phe...)
Show SMILES COCCOc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1
Show InChI InChI=1S/C29H37ClN6O5/c1-35(2)27(37)18-36-10-8-19-14-24(25(39-4)15-20(19)9-11-36)33-29-31-17-22(30)28(34-29)32-23-7-6-21(16-26(23)40-5)41-13-12-38-3/h6-7,14-17H,8-13,18H2,1-5H3,(H2,31,32,33,34)
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n/an/a 40n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK by cell based assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334606
PNG
(2-(7-(5-chloro-4-(2,4-dimethoxyphenylamino)pyrimid...)
Show SMILES COc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1
Show InChI InChI=1S/C27H33ClN6O4/c1-33(2)25(35)16-34-10-8-17-12-22(23(37-4)13-18(17)9-11-34)31-27-29-15-20(28)26(32-27)30-21-7-6-19(36-3)14-24(21)38-5/h6-7,12-15H,8-11,16H2,1-5H3,(H2,29,30,31,32)
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n/an/a 40n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK by cell based assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334600
PNG
(2-(7-(5-chloro-4-(4-morpholinophenylamino)pyrimidi...)
Show SMILES COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C29H36ClN7O3/c1-35(2)27(38)19-36-10-8-20-16-25(26(39-3)17-21(20)9-11-36)33-29-31-18-24(30)28(34-29)32-22-4-6-23(7-5-22)37-12-14-40-15-13-37/h4-7,16-18H,8-15,19H2,1-3H3,(H2,31,32,33,34)
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n/an/a 49n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334594
PNG
(2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...)
Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)
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n/an/a 50n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK by cell based assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334598
PNG
(5-chloro-N2-(3-(2,2-difluoroethyl)-8-methoxy-2,3,4...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(F)F)CCc3cc2OC)ncc1Cl)N1CCOCC1
Show InChI InChI=1S/C28H33ClF2N6O3/c1-38-24-14-19-6-8-36(17-26(30)31)7-5-18(19)13-23(24)34-28-32-16-21(29)27(35-28)33-22-4-3-20(15-25(22)39-2)37-9-11-40-12-10-37/h3-4,13-16,26H,5-12,17H2,1-2H3,(H2,32,33,34,35)
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n/an/a 58n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334601
PNG
(2-(7-(5-chloro-4-(2-methoxyphenylamino)pyrimidin-2...)
Show SMILES COc1ccccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl
Show InChI InChI=1S/C26H31ClN6O3/c1-32(2)24(34)16-33-11-9-17-13-21(23(36-4)14-18(17)10-12-33)30-26-28-15-19(27)25(31-26)29-20-7-5-6-8-22(20)35-3/h5-8,13-15H,9-12,16H2,1-4H3,(H2,28,29,30,31)
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n/an/a 62n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334601
PNG
(2-(7-(5-chloro-4-(2-methoxyphenylamino)pyrimidin-2...)
Show SMILES COc1ccccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl
Show InChI InChI=1S/C26H31ClN6O3/c1-32(2)24(34)16-33-11-9-17-13-21(23(36-4)14-18(17)10-12-33)30-26-28-15-19(27)25(31-26)29-20-7-5-6-8-22(20)35-3/h5-8,13-15H,9-12,16H2,1-4H3,(H2,28,29,30,31)
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n/an/a 65n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK by cell based assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334602
PNG
(4-(5-chloro-2-(3-(2-(dimethylamino)-2-oxoethyl)-8-...)
Show SMILES COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)C(N)=O)n1
Show InChI InChI=1S/C27H32ClN7O4/c1-34(2)24(36)15-35-9-7-16-11-21(23(39-4)12-17(16)8-10-35)32-27-30-14-19(28)26(33-27)31-20-6-5-18(25(29)37)13-22(20)38-3/h5-6,11-14H,7-10,15H2,1-4H3,(H2,29,37)(H2,30,31,32,33)
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n/an/a 65n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK by cell based assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334605
PNG
(2-(7-(5-chloro-4-(4-cyano-2-methoxyphenylamino)pyr...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)C#N
Show InChI InChI=1S/C27H30ClN7O3/c1-34(2)25(36)16-35-9-7-18-12-22(24(38-4)13-19(18)8-10-35)32-27-30-15-20(28)26(33-27)31-21-6-5-17(14-29)11-23(21)37-3/h5-6,11-13,15H,7-10,16H2,1-4H3,(H2,30,31,32,33)
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n/an/a 65n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK by cell based assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334599
PNG
(5-chloro-N2-(8-methoxy-3-(2-(methylsulfonyl)ethyl)...)
Show SMILES COc1cc2CCN(CCS(C)(=O)=O)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1
Show InChI InChI=1S/C29H37ClN6O5S/c1-39-26-17-21-7-9-35(12-15-42(3,37)38)8-6-20(21)16-25(26)33-29-31-19-23(30)28(34-29)32-24-5-4-22(18-27(24)40-2)36-10-13-41-14-11-36/h4-5,16-19H,6-15H2,1-3H3,(H2,31,32,33,34)
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n/an/a 100n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK by cell based assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334603
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)
Show SMILES CNC(=O)CN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1
Show InChI InChI=1S/C29H36ClN7O4/c1-31-27(38)18-36-8-6-19-14-24(25(39-2)15-20(19)7-9-36)34-29-32-17-22(30)28(35-29)33-23-5-4-21(16-26(23)40-3)37-10-12-41-13-11-37/h4-5,14-17H,6-13,18H2,1-3H3,(H,31,38)(H2,32,33,34,35)
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n/an/a 100n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK by cell based assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334595
PNG
(5-chloro-N2,N4-bis(2-methoxy-4-morpholinophenyl)py...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1)N1CCOCC1
Show InChI InChI=1S/C26H31ClN6O4/c1-34-23-15-18(32-7-11-36-12-8-32)3-5-21(23)29-25-20(27)17-28-26(31-25)30-22-6-4-19(16-24(22)35-2)33-9-13-37-14-10-33/h3-6,15-17H,7-14H2,1-2H3,(H2,28,29,30,31)
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n/an/a 120n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK by cell based assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
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 ALK by cell based assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50334596
PNG
(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamino)p...)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C28H33ClN6O4/c1-4-35-23-11-10-22(26(38-3)19(23)6-5-7-25(35)36)32-28-30-17-20(29)27(33-28)31-21-9-8-18(16-24(21)37-2)34-12-14-39-15-13-34/h8-11,16-17H,4-7,12-15H2,1-3H3,(H2,30,31,32,33)
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n/an/a 175n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK by cell based assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334606
PNG
(2-(7-(5-chloro-4-(2,4-dimethoxyphenylamino)pyrimid...)
Show SMILES COc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1
Show InChI InChI=1S/C27H33ClN6O4/c1-33(2)25(35)16-34-10-8-17-12-22(23(37-4)13-18(17)9-11-34)31-27-29-15-20(28)26(32-27)30-21-7-6-19(36-3)14-24(21)38-5/h6-7,12-15H,8-11,16H2,1-5H3,(H2,29,30,31,32)
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n/an/a 189n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334605
PNG
(2-(7-(5-chloro-4-(4-cyano-2-methoxyphenylamino)pyr...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)C#N
Show InChI InChI=1S/C27H30ClN7O3/c1-34(2)25(36)16-35-9-7-18-12-22(24(38-4)13-19(18)8-10-35)32-27-30-15-20(28)26(33-27)31-21-6-5-17(14-29)11-23(21)37-3/h5-6,11-13,15H,7-10,16H2,1-4H3,(H2,30,31,32,33)
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n/an/a 233n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334604
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-(2-methoxyethoxy)phe...)
Show SMILES COCCOc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1
Show InChI InChI=1S/C29H37ClN6O5/c1-35(2)27(37)18-36-10-8-19-14-24(25(39-4)15-20(19)9-11-36)33-29-31-17-22(30)28(34-29)32-23-7-6-21(16-26(23)40-5)41-13-12-38-3/h6-7,14-17H,8-13,18H2,1-5H3,(H2,31,32,33,34)
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n/an/a 351n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334600
PNG
(2-(7-(5-chloro-4-(4-morpholinophenylamino)pyrimidi...)
Show SMILES COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C29H36ClN7O3/c1-35(2)27(38)19-36-10-8-20-16-25(26(39-3)17-21(20)9-11-36)33-29-31-18-24(30)28(34-29)32-22-4-6-23(7-5-22)37-12-14-40-15-13-37/h4-7,16-18H,8-15,19H2,1-3H3,(H2,31,32,33,34)
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n/an/a 504n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334602
PNG
(4-(5-chloro-2-(3-(2-(dimethylamino)-2-oxoethyl)-8-...)
Show SMILES COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)C(N)=O)n1
Show InChI InChI=1S/C27H32ClN7O4/c1-34(2)24(36)15-35-9-7-16-11-21(23(39-4)12-17(16)8-10-35)32-27-30-14-19(28)26(33-27)31-20-6-5-18(25(29)37)13-22(20)38-3/h5-6,11-14H,7-10,15H2,1-4H3,(H2,29,37)(H2,30,31,32,33)
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n/an/a 573n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50334593
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35)
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n/an/a 800n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334593
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50334593
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334595
PNG
(5-chloro-N2,N4-bis(2-methoxy-4-morpholinophenyl)py...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1)N1CCOCC1
Show InChI InChI=1S/C26H31ClN6O4/c1-34-23-15-18(32-7-11-36-12-8-32)3-5-21(23)29-25-20(27)17-28-26(31-25)30-22-6-4-19(16-24(22)35-2)33-9-13-37-14-10-33/h3-6,15-17H,7-14H2,1-2H3,(H2,28,29,30,31)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50334593
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin 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 2.69E+3n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334599
PNG
(5-chloro-N2-(8-methoxy-3-(2-(methylsulfonyl)ethyl)...)
Show SMILES COc1cc2CCN(CCS(C)(=O)=O)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1
Show InChI InChI=1S/C29H37ClN6O5S/c1-39-26-17-21-7-9-35(12-15-42(3,37)38)8-6-20(21)16-25(26)33-29-31-19-23(30)28(34-29)32-24-5-4-22(18-27(24)40-2)36-10-13-41-14-11-36/h4-5,16-19H,6-15H2,1-3H3,(H2,31,32,33,34)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334603
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)
Show SMILES CNC(=O)CN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1
Show InChI InChI=1S/C29H36ClN7O4/c1-31-27(38)18-36-8-6-19-14-24(25(39-2)15-20(19)7-9-36)34-29-32-17-22(30)28(35-29)33-23-5-4-21(16-26(23)40-3)37-10-12-41-13-11-37/h4-5,14-17H,6-13,18H2,1-3H3,(H,31,38)(H2,32,33,34,35)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50334593
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334598
PNG
(5-chloro-N2-(3-(2,2-difluoroethyl)-8-methoxy-2,3,4...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(F)F)CCc3cc2OC)ncc1Cl)N1CCOCC1
Show InChI InChI=1S/C28H33ClF2N6O3/c1-38-24-14-19-6-8-36(17-26(30)31)7-5-18(19)13-23(24)34-28-32-16-21(29)27(35-28)33-22-4-3-20(15-25(22)39-2)37-9-11-40-12-10-37/h3-4,13-16,26H,5-12,17H2,1-2H3,(H2,32,33,34,35)
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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 insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50334596
PNG
(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamino)p...)
Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)c2CCCC1=O
Show InChI InChI=1S/C28H33ClN6O4/c1-4-35-23-11-10-22(26(38-3)19(23)6-5-7-25(35)36)32-28-30-17-20(29)27(33-28)31-21-9-8-18(16-24(21)37-2)34-12-14-39-15-13-34/h8-11,16-17H,4-7,12-15H2,1-3H3,(H2,30,31,32,33)
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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 insulin receptor


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50334593
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50334593
PNG
(2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(H2,32,33,34,35)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 21: 463-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.115
BindingDB Entry DOI: 10.7270/Q27081QN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%