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PubMed code 18257513

Compile data set for download or QSAR
Found 13 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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50372736
PNG
(CHEMBL270492)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3F)ncnc12 |w:7.8|
Show InChI InChI=1S/C20H16ClF2N5/c21-17(13-5-7-15(22)8-6-13)11-28-20-16(10-27-28)19(25-12-26-20)24-9-14-3-1-2-4-18(14)23/h1-8,10,12,17H,9,11H2,(H,24,25,26)
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PubMed
20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50354485
PNG
(CHEMBL412298)
Show SMILES Fc1cccc(CNc2ncnc3n(CC(Cl)c4ccccc4)ncc23)c1 |w:15.15|
Show InChI InChI=1S/C20H17ClFN5/c21-18(15-6-2-1-3-7-15)12-27-20-17(11-26-27)19(24-13-25-20)23-10-14-5-4-8-16(22)9-14/h1-9,11,13,18H,10,12H2,(H,23,24,25)
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40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343424
PNG
(1-(2-chloro-2-(4-chlorophenyl)ethyl)-N-(4-fluorobe...)
Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(Cl)cc4)ncc23)cc1 |w:14.14|
Show InChI InChI=1S/C20H16Cl2FN5/c21-15-5-3-14(4-6-15)18(22)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-7-16(23)8-2-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
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80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50372741
PNG
(CHEMBL408966)
Show SMILES ClC(Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12)c1ccc(Cl)cc1 |w:1.0|
Show InChI InChI=1S/C20H16Cl3N5/c21-15-6-4-14(5-7-15)18(23)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-2-1-3-16(22)8-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
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80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50372737
PNG
(CHEMBL261827)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3cccc(F)c3)ncnc12 |w:7.8|
Show InChI InChI=1S/C20H16ClF2N5/c21-18(14-4-6-15(22)7-5-14)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-2-1-3-16(23)8-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
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100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50372735
PNG
(CHEMBL429600)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3cccc(Cl)c3)ncnc12 |w:7.8|
Show InChI InChI=1S/C20H16Cl2FN5/c21-15-3-1-2-13(8-15)9-24-19-17-10-27-28(20(17)26-12-25-19)11-18(22)14-4-6-16(23)7-5-14/h1-8,10,12,18H,9,11H2,(H,24,25,26)
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120n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50372740
PNG
(CHEMBL273090)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3Cl)ncnc12 |w:7.8|
Show InChI InChI=1S/C20H16Cl2FN5/c21-17-4-2-1-3-14(17)9-24-19-16-10-27-28(20(16)26-12-25-19)11-18(22)13-5-7-15(23)8-6-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
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200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50372738
PNG
(CHEMBL270286)
Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccc(F)cc4)ncc23)cc1 |w:14.14|
Show InChI InChI=1S/C20H16ClF2N5/c21-18(14-3-7-16(23)8-4-14)11-28-20-17(10-27-28)19(25-12-26-20)24-9-13-1-5-15(22)6-2-13/h1-8,10,12,18H,9,11H2,(H,24,25,26)
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200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50354486
PNG
(CHEMBL411043)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24)
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400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50372739
PNG
(CHEMBL410931)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(NCc3ccccc3)ncnc12 |w:7.8|
Show InChI InChI=1S/C20H17ClFN5/c21-18(15-6-8-16(22)9-7-15)12-27-20-17(11-26-27)19(24-13-25-20)23-10-14-4-2-1-3-5-14/h1-9,11,13,18H,10,12H2,(H,23,24,25)
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PubMed
440n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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500n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50354487
PNG
(CHEMBL270958)
Show SMILES Fc1ccccc1CNc1ncnc2n(CC(Cl)c3ccccc3)ncc12 |w:16.17|
Show InChI InChI=1S/C20H17ClFN5/c21-17(14-6-2-1-3-7-14)12-27-20-16(11-26-27)19(24-13-25-20)23-10-15-8-4-5-9-18(15)22/h1-9,11,13,17H,10,12H2,(H,23,24,25)
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730n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50354488
PNG
(CHEMBL272169)
Show SMILES Fc1ccc(CNc2ncnc3n(CC(Cl)c4ccccc4)ncc23)cc1 |w:14.14|
Show InChI InChI=1S/C20H17ClFN5/c21-18(15-4-2-1-3-5-15)12-27-20-17(11-26-27)19(24-13-25-20)23-10-14-6-8-16(22)9-7-14/h1-9,11,13,18H,10,12H2,(H,23,24,25)
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%