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PubMed code 18621522

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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262718
PNG
(CHEMBL476304 | N-(5-(4-methoxybenzyl)thiazol-2-yl)...)
Show SMILES COc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
Show InChI InChI=1S/C16H14N2O2S2/c1-20-12-6-4-11(5-7-12)9-13-10-17-16(22-13)18-15(19)14-3-2-8-21-14/h2-8,10H,9H2,1H3,(H,17,18,19)
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PubMed
16n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262723
PNG
(CHEMBL517822 | N-(5-(2,5-dichlorobenzyl)thiazol-2-...)
Show SMILES Clc1ccc(Cl)c(Cc2cnc(NC(=O)c3cccs3)s2)c1
Show InChI InChI=1S/C15H10Cl2N2OS2/c16-10-3-4-12(17)9(6-10)7-11-8-18-15(22-11)19-14(20)13-2-1-5-21-13/h1-6,8H,7H2,(H,18,19,20)
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50n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262722
PNG
(CHEMBL517047 | Thiophene-2-carboxylic acid [5-(3-m...)
Show SMILES Cc1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1
Show InChI InChI=1S/C16H14N2OS2/c1-11-4-2-5-12(8-11)9-13-10-17-16(21-13)18-15(19)14-6-3-7-20-14/h2-8,10H,9H2,1H3,(H,17,18,19)
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59n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262667
PNG
(CHEMBL477139 | N-(6-methoxy-8H-indeno[1,2-d]thiazo...)
Show SMILES COc1ccc-2c(Cc3sc(NC(=O)c4cccs4)nc-23)c1
Show InChI InChI=1S/C16H12N2O2S2/c1-20-10-4-5-11-9(7-10)8-13-14(11)17-16(22-13)18-15(19)12-3-2-6-21-12/h2-7H,8H2,1H3,(H,17,18,19)
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68n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262664
PNG
(CHEMBL504598 | N-(5-benzylthiazol-2-yl)thiophene-2...)
Show SMILES O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1
Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-4-8-19-13)17-15-16-10-12(20-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17,18)
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90n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262715
PNG
(CHEMBL518430 | N-(5-(3-chlorobenzyl)thiazol-2-yl)t...)
Show SMILES Clc1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1
Show InChI InChI=1S/C15H11ClN2OS2/c16-11-4-1-3-10(7-11)8-12-9-17-15(21-12)18-14(19)13-5-2-6-20-13/h1-7,9H,8H2,(H,17,18,19)
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97n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262665
PNG
(CHEMBL478181 | N-(5-(4-fluorobenzyl)thiazol-2-yl)t...)
Show SMILES Fc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
Show InChI InChI=1S/C15H11FN2OS2/c16-11-5-3-10(4-6-11)8-12-9-17-15(21-12)18-14(19)13-2-1-7-20-13/h1-7,9H,8H2,(H,17,18,19)
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130n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262669
PNG
(CHEMBL477343 | N-(5-(3-(trifluoromethyl)benzyl)thi...)
Show SMILES FC(F)(F)c1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1
Show InChI InChI=1S/C16H11F3N2OS2/c17-16(18,19)11-4-1-3-10(7-11)8-12-9-20-15(24-12)21-14(22)13-5-2-6-23-13/h1-7,9H,8H2,(H,20,21,22)
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136n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262671
PNG
(CHEMBL477344 | N-(5-(2-fluorobenzyl)thiazol-2-yl)t...)
Show SMILES Fc1ccccc1Cc1cnc(NC(=O)c2cccs2)s1
Show InChI InChI=1S/C15H11FN2OS2/c16-12-5-2-1-4-10(12)8-11-9-17-15(21-11)18-14(19)13-6-3-7-20-13/h1-7,9H,8H2,(H,17,18,19)
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170n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262670
PNG
(CHEMBL517204 | N-(5-(2-chlorobenzyl)thiazol-2-yl)t...)
Show SMILES Clc1ccccc1Cc1cnc(NC(=O)c2cccs2)s1
Show InChI InChI=1S/C15H11ClN2OS2/c16-12-5-2-1-4-10(12)8-11-9-17-15(21-11)18-14(19)13-6-3-7-20-13/h1-7,9H,8H2,(H,17,18,19)
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245n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262719
PNG
(CHEMBL476513 | Thiophene-2-carboxylic acid [5-(4-m...)
Show SMILES Cc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
Show InChI InChI=1S/C16H14N2OS2/c1-11-4-6-12(7-5-11)9-13-10-17-16(21-13)18-15(19)14-3-2-8-20-14/h2-8,10H,9H2,1H3,(H,17,18,19)
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249n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262668
PNG
(CHEMBL477342 | N-(5-(phenoxymethyl)-1,3,4-thiadiaz...)
Show SMILES O=C(Nc1nnc(COc2ccccc2)s1)c1cccs1
Show InChI InChI=1S/C14H11N3O2S2/c18-13(11-7-4-8-20-11)15-14-17-16-12(21-14)9-19-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17,18)
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278n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262724
PNG
(CHEMBL478825 | N-(5-benzyl-1,3,4-thiadiazol-2-yl)t...)
Show SMILES O=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1
Show InChI InChI=1S/C14H11N3OS2/c18-13(11-7-4-8-19-11)15-14-17-16-12(20-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17,18)
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360n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262714
PNG
(CHEMBL477554 | N-(5-(4-chlorobenzyl)thiazol-2-yl)t...)
Show SMILES Clc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1
Show InChI InChI=1S/C15H11ClN2OS2/c16-11-5-3-10(4-6-11)8-12-9-17-15(21-12)18-14(19)13-2-1-7-20-13/h1-7,9H,8H2,(H,17,18,19)
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624n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262721
PNG
(CHEMBL476515 | N-(5-(4-chlorophenyl)thiazol-2-yl)t...)
Show SMILES Clc1ccc(cc1)-c1cnc(NC(=O)c2cccs2)s1
Show InChI InChI=1S/C14H9ClN2OS2/c15-10-5-3-9(4-6-10)12-8-16-14(20-12)17-13(18)11-2-1-7-19-11/h1-8H,(H,16,17,18)
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791n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262716
PNG
(CHEMBL477555 | N-(5-(2-chloro-5-(trifluoromethyl)b...)
Show SMILES FC(F)(F)c1ccc(Cl)c(Cc2cnc(NC(=O)c3cccs3)s2)c1
Show InChI InChI=1S/C16H10ClF3N2OS2/c17-12-4-3-10(16(18,19)20)6-9(12)7-11-8-21-15(25-11)22-14(23)13-2-1-5-24-13/h1-6,8H,7H2,(H,21,22,23)
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845n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262720
PNG
(CHEMBL476514 | N-(5-(4-fluorophenyl)thiazol-2-yl)t...)
Show SMILES Fc1ccc(cc1)-c1cnc(NC(=O)c2cccs2)s1
Show InChI InChI=1S/C14H9FN2OS2/c15-10-5-3-9(4-6-10)12-8-16-14(20-12)17-13(18)11-2-1-7-19-11/h1-8H,(H,16,17,18)
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1.65E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50262717
PNG
(CHEMBL476303 | N-(5-(2,4-dichlorobenzyl)thiazol-2-...)
Show SMILES Clc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)c(Cl)c1
Show InChI InChI=1S/C15H10Cl2N2OS2/c16-10-4-3-9(12(17)7-10)6-11-8-18-15(22-11)19-14(20)13-2-1-5-21-13/h1-5,7-8H,6H2,(H,18,19,20)
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3.47E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase (unknown origin) by cell free assay


Bioorg Med Chem Lett 18: 4328-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.082
BindingDB Entry DOI: 10.7270/Q2M908GW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%