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PubMed code 27031565

Compile data set for download or QSAR
Found 15 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))
BDBM50434621
PNG
(CHEMBL2386796)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)c(C)c2)CC1
Show InChI InChI=1S/C31H38N8O3/c1-20-16-23(10-11-24(20)32-30(41)34-28-18-26(42-37-28)31(2,3)4)25-17-27(36-35-25)33-29(40)22-8-6-21(7-9-22)19-39-14-12-38(5)13-15-39/h6-11,16-18H,12-15,19H2,1-5H3,(H2,32,34,37,41)(H2,33,35,36,40)
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n/an/a 177n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50173123
PNG
(CHEMBL3810133)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(cc2C)-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)no1
Show InChI InChI=1S/C30H36N8O3/c1-19(2)26-17-28(36-41-26)33-30(40)31-24-10-9-23(15-20(24)3)25-16-27(35-34-25)32-29(39)22-7-5-21(6-8-22)18-38-13-11-37(4)12-14-38/h5-10,15-17,19H,11-14,18H2,1-4H3,(H2,31,33,36,40)(H2,32,34,35,39)
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n/an/a 402n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50434625
PNG
(CHEMBL2386792)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCCC4)cc3)[nH]n2)no1
Show InChI InChI=1S/C30H35N7O4/c1-30(2,3)25-19-27(36-41-25)33-29(39)31-22-10-6-20(7-11-22)24-18-26(35-34-24)32-28(38)21-8-12-23(13-9-21)40-17-16-37-14-4-5-15-37/h6-13,18-19H,4-5,14-17H2,1-3H3,(H2,31,33,36,39)(H2,32,34,35,38)
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n/an/a 559n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50173122
PNG
(CHEMBL3808519)
Show SMILES CCc1cc(NC(=O)Nc2ccc(cc2C)-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)no1
Show InChI InChI=1S/C29H34N8O3/c1-4-23-16-27(35-40-23)32-29(39)30-24-10-9-22(15-19(24)2)25-17-26(34-33-25)31-28(38)21-7-5-20(6-8-21)18-37-13-11-36(3)12-14-37/h5-10,15-17H,4,11-14,18H2,1-3H3,(H2,30,32,35,39)(H2,31,33,34,38)
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n/an/a 805n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50173120
PNG
(CHEMBL3810070)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)no1
Show InChI InChI=1S/C29H34N8O3/c1-19(2)25-17-27(35-40-25)32-29(39)30-23-10-8-21(9-11-23)24-16-26(34-33-24)31-28(38)22-6-4-20(5-7-22)18-37-14-12-36(3)13-15-37/h4-11,16-17,19H,12-15,18H2,1-3H3,(H2,30,32,35,39)(H2,31,33,34,38)
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n/an/a 855n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50434623
PNG
(CHEMBL2386794)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
Show InChI InChI=1S/C30H36N8O3/c1-30(2,3)25-18-27(36-41-25)33-29(40)31-23-11-9-21(10-12-23)24-17-26(35-34-24)32-28(39)22-7-5-20(6-8-22)19-38-15-13-37(4)14-16-38/h5-12,17-18H,13-16,19H2,1-4H3,(H2,31,33,36,40)(H2,32,34,35,39)
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n/an/a 860n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50173119
PNG
(CHEMBL3809934)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCCN4CCCC4)cc3)[nH]n2)no1
Show InChI InChI=1S/C31H37N7O4/c1-31(2,3)26-20-28(37-42-26)34-30(40)32-23-11-7-21(8-12-23)25-19-27(36-35-25)33-29(39)22-9-13-24(14-10-22)41-18-6-17-38-15-4-5-16-38/h7-14,19-20H,4-6,15-18H2,1-3H3,(H2,32,34,37,40)(H2,33,35,36,39)
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n/an/a 1.20E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50434614
PNG
(CHEMBL2386803)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
Show InChI InChI=1S/C31H38N8O3/c1-31(2,3)26-18-28(37-42-26)34-30(41)32-19-21-5-9-23(10-6-21)25-17-27(36-35-25)33-29(40)24-11-7-22(8-12-24)20-39-15-13-38(4)14-16-39/h5-12,17-18H,13-16,19-20H2,1-4H3,(H2,32,34,37,41)(H2,33,35,36,40)
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n/an/a 4.50E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50173121
PNG
(CHEMBL3808520)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(C)on3)c(C)c2)CC1
Show InChI InChI=1S/C28H32N8O3/c1-18-14-22(8-9-23(18)29-28(38)31-26-15-19(2)39-34-26)24-16-25(33-32-24)30-27(37)21-6-4-20(5-7-21)17-36-12-10-35(3)11-13-36/h4-9,14-16H,10-13,17H2,1-3H3,(H2,29,31,34,38)(H2,30,32,33,37)
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n/an/a 5.64E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50173124
PNG
(CHEMBL3809888)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cccc(F)c3)c(C)c2)CC1
Show InChI InChI=1S/C30H32FN7O2/c1-20-16-23(10-11-26(20)33-30(40)32-25-5-3-4-24(31)17-25)27-18-28(36-35-27)34-29(39)22-8-6-21(7-9-22)19-38-14-12-37(2)13-15-38/h3-11,16-18H,12-15,19H2,1-2H3,(H2,32,33,40)(H2,34,35,36,39)
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n/an/a 6.20E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50434622
PNG
(CHEMBL2386795)
Show SMILES Cc1cc(ccc1NC(=O)Nc1cc(on1)C(C)(C)C)-c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)[nH]n1
Show InChI InChI=1S/C31H37N7O5/c1-20-17-22(7-10-24(20)32-30(40)34-28-19-26(43-37-28)31(2,3)4)25-18-27(36-35-25)33-29(39)21-5-8-23(9-6-21)42-16-13-38-11-14-41-15-12-38/h5-10,17-19H,11-16H2,1-4H3,(H2,32,34,37,40)(H2,33,35,36,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50173125
PNG
(CHEMBL3809012)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(N)c(C)c2)CC1
Show InChI InChI=1S/C23H28N6O/c1-16-13-19(7-8-20(16)24)21-14-22(27-26-21)25-23(30)18-5-3-17(4-6-18)15-29-11-9-28(2)10-12-29/h3-8,13-14H,9-12,15,24H2,1-2H3,(H2,25,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50434628
PNG
(CHEMBL2386789)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C29H34N8O3/c1-29(2,3)24-18-26(35-40-24)32-28(39)30-21-9-5-19(6-10-21)23-17-25(34-33-23)31-27(38)20-7-11-22(12-8-20)37-15-13-36(4)14-16-37/h5-12,17-18H,13-16H2,1-4H3,(H2,30,32,35,39)(H2,31,33,34,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells using polyGlu4:Tyr peptide as substrate after 1 h...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/s2
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n/an/an/a 3.60n/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Binding affinity to human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells assessed as dissociation rate constant by s...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50434621
PNG
(CHEMBL2386796)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)c(C)c2)CC1
Show InChI InChI=1S/C31H38N8O3/c1-20-16-23(10-11-24(20)32-30(41)34-28-18-26(42-37-28)31(2,3)4)25-17-27(36-35-25)33-29(40)22-8-6-21(7-9-22)19-39-14-12-38(5)13-15-39/h6-11,16-18H,12-15,19H2,1-5H3,(H2,32,34,37,41)(H2,33,35,36,40)
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n/an/an/a 2.40n/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Binding affinity to human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells assessed as dissociation rate constant by s...


J Med Chem 59: 3906-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00106
BindingDB Entry DOI: 10.7270/Q2Z03B2G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%