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Articleid 51

Compile data set for download or QSAR
Found 18 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))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50018830
PNG
(CHEMBL3286830 | US10543199, Compound PF-06463922 |...)
Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N |r|
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
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 |r|
Show InChI InChI=1S/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-/m1/s1
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M]


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))		BDBM426495
PNG
(US10543199, Compound 45 | US10543199, Compound 58 ...)
Show SMILES CC1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M]


(Homo sapiens (Human))		BDBM50018830
PNG
(CHEMBL3286830 | US10543199, Compound PF-06463922 |...)
Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N |r|
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
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Lilly Research Laboratories



Assay Description
The inhibition of ALK tyrosine kinase activity can be demonstrated using known methods. For example, in one method, compounds can be tested for their...

Bioorg Med Chem Lett 5: 2891-6 (1995)


BindingDB Entry DOI: 10.7270/Q2PC30JX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%