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PubMed code 20828158

Compile data set for download or QSAR
Found 92 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
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328120
PNG
(1-benzyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazol...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccccc4)ncc23)cc1
Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)28-15-8-6-14(7-9-15)26-17-16-10-25-27(18(16)24-12-23-17)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,23,24,26)
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n/an/an/an/a 400n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328128
PNG
(2-(4-(4-(Trifluoromethoxy)phenylamino)-2H-pyrazolo...)
Show SMILES OCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C14H12F3N5O2/c15-14(16,17)24-10-3-1-9(2-4-10)20-12-11-7-22(5-6-23)21-13(11)19-8-18-12/h1-4,7-8,23H,5-6H2,(H,18,19,20,21)
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n/an/an/an/a 1.32E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328125
PNG
(1-(pyridin-4-ylmethyl)-N-(4-(trifluoromethoxy)phen...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccncc4)ncc23)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-3-1-13(2-4-14)26-16-15-9-25-27(17(15)24-11-23-16)10-12-5-7-22-8-6-12/h1-9,11H,10H2,(H,23,24,26)
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n/an/an/a 394n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328139
PNG
(CHEMBL1241934 | N4-(2-morpholinoethyl)-N6-(4-(trif...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1
Show InChI InChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-13(2-4-14)24-16-11-15(22-12-23-16)21-5-6-25-7-9-26-10-8-25/h1-4,11-12H,5-10H2,(H2,21,22,23,24)
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n/an/an/an/a 720n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328145
PNG
(4-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-7-5-13(6-8-14)25-16-9-15(23-10-24-16)11-1-3-12(4-2-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
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n/an/an/an/a 480n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328149
PNG
(6-(3-(methylsulfonyl)phenyl)-N-(4-(trifluoromethox...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H14F3N3O3S/c1-28(25,26)15-4-2-3-12(9-15)16-10-17(23-11-22-16)24-13-5-7-14(8-6-13)27-18(19,20)21/h2-11H,1H3,(H,22,23,24)
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n/an/an/an/a 390n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328137
PNG
(6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethox...)
Show SMILES Cn1cc(cn1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C15H12F3N5O/c1-23-8-10(7-21-23)13-6-14(20-9-19-13)22-11-2-4-12(5-3-11)24-15(16,17)18/h2-9H,1H3,(H,19,20,22)
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n/an/an/an/a 100n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328165
PNG
(CHEMBL1258242 | N4-(4-methoxyphenyl)-N6-(2-morphol...)
Show SMILES COc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1
Show InChI InChI=1S/C17H23N5O2/c1-23-15-4-2-14(3-5-15)21-17-12-16(19-13-20-17)18-6-7-22-8-10-24-11-9-22/h2-5,12-13H,6-11H2,1H3,(H2,18,19,20,21)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328167
PNG
(CHEMBL1258359 | N-(2-morpholinoethyl)-6-(4-(triflu...)
Show SMILES FC(F)(F)Oc1ccc(Oc2cc(NCCN3CCOCC3)ncn2)cc1
Show InChI InChI=1S/C17H19F3N4O3/c18-17(19,20)27-14-3-1-13(2-4-14)26-16-11-15(22-12-23-16)21-5-6-24-7-9-25-10-8-24/h1-4,11-12H,5-10H2,(H,21,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328172
PNG
(2-methyl-N4-(2-morpholinoethyl)-N6-(4-(trifluorome...)
Show SMILES Cc1nc(NCCN2CCOCC2)cc(Nc2ccc(OC(F)(F)F)cc2)n1
Show InChI InChI=1S/C18H22F3N5O2/c1-13-23-16(22-6-7-26-8-10-27-11-9-26)12-17(24-13)25-14-2-4-15(5-3-14)28-18(19,20)21/h2-5,12H,6-11H2,1H3,(H2,22,23,24,25)
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n/an/an/an/a 1.15E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328173
PNG
(CHEMBL1258692 | N4-(2-morpholinoethyl)-N2-(4-(trif...)
Show SMILES FC(F)(F)Oc1ccc(Nc2nccc(NCCN3CCOCC3)n2)cc1
Show InChI InChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-13(2-4-14)23-16-22-6-5-15(24-16)21-7-8-25-9-11-26-12-10-25/h1-6H,7-12H2,(H2,21,22,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328176
PNG
(CHEMBL1258811 | N3-(2-morpholinoethyl)-N6-(4-(trif...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ccc(NCCN3CCOCC3)nn2)cc1
Show InChI InChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-13(2-4-14)22-16-6-5-15(23-24-16)21-7-8-25-9-11-26-12-10-25/h1-6H,7-12H2,(H,21,23)(H,22,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328177
PNG
(CHEMBL1258925 | N-methyl-6-(pyridin-4-yl)-N-(4-(tr...)
Show SMILES CN(c1ccc(OC(F)(F)F)cc1)c1cc(ncn1)-c1ccncc1
Show InChI InChI=1S/C17H13F3N4O/c1-24(13-2-4-14(5-3-13)25-17(18,19)20)16-10-15(22-11-23-16)12-6-8-21-9-7-12/h2-11H,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328138
PNG
((4-methylpiperazin-1-yl)(4-(4-(trifluoromethoxy)ph...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
Show InChI InChI=1S/C19H18F3N5O2S/c1-26-6-8-27(9-7-26)18(28)15-10-14-16(23-11-24-17(14)30-15)25-12-2-4-13(5-3-12)29-19(20,21)22/h2-5,10-11H,6-9H2,1H3,(H,23,24,25)
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n/an/an/a 46n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328147
PNG
(6-(pyridin-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyr...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2ccncc2)cc1
Show InChI InChI=1S/C16H11F3N4O/c17-16(18,19)24-13-3-1-12(2-4-13)23-15-9-14(21-10-22-15)11-5-7-20-8-6-11/h1-10H,(H,21,22,23)
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n/an/an/an/a 470n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328156
PNG
(6-(1-isobutyl-1H-pyrazol-4-yl)-N-(4-(trifluorometh...)
Show SMILES CC(C)Cn1cc(cn1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H18F3N5O/c1-12(2)9-26-10-13(8-24-26)16-7-17(23-11-22-16)25-14-3-5-15(6-4-14)27-18(19,20)21/h3-8,10-12H,9H2,1-2H3,(H,22,23,25)
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n/an/an/an/a 360n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328163
PNG
(6-(2-methylthiazol-4-yl)-N-(4-(trifluoromethoxy)ph...)
Show SMILES Cc1nc(cs1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C15H11F3N4OS/c1-9-21-13(7-24-9)12-6-14(20-8-19-12)22-10-2-4-11(5-3-10)23-15(16,17)18/h2-8H,1H3,(H,19,20,22)
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n/an/an/an/a 1.23E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328164
PNG
(CHEMBL1258129 | N4-methyl-N6-(2-morpholinoethyl)-N...)
Show SMILES CN(c1ccc(OC(F)(F)F)cc1)c1cc(NCCN2CCOCC2)ncn1
Show InChI InChI=1S/C18H22F3N5O2/c1-25(14-2-4-15(5-3-14)28-18(19,20)21)17-12-16(23-13-24-17)22-6-7-26-8-10-27-11-9-26/h2-5,12-13H,6-11H2,1H3,(H,22,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328191
PNG
(CHEMBL1256107 | N-(4-methyl-3-(4-(4-(trifluorometh...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
Show InChI InChI=1S/C29H18F6N4O3S/c1-15-5-6-19(39-26(41)16-3-2-4-17(11-16)28(30,31)32)12-21(15)24(40)23-13-22-25(36-14-37-27(22)43-23)38-18-7-9-20(10-8-18)42-29(33,34)35/h2-14H,1H3,(H,39,41)(H,36,37,38)
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n/an/an/an/a 1.44E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328192
PNG
(CHEMBL1257781 | N-(4-(Trifluoromethoxy)phenyl)-7H-...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C13H9F3N4O/c14-13(15,16)21-9-3-1-8(2-4-9)20-12-10-5-6-17-11(10)18-7-19-12/h1-7H,(H2,17,18,19,20)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328122
PNG
(4-((4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazol...)
Show SMILES NC(=O)c1ccc(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)cc1
Show InChI InChI=1S/C20H15F3N6O2/c21-20(22,23)31-15-7-5-14(6-8-15)28-18-16-9-27-29(19(16)26-11-25-18)10-12-1-3-13(4-2-12)17(24)30/h1-9,11H,10H2,(H2,24,30)(H,25,26,28)
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n/an/an/an/a 6.89E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328140
PNG
(CHEMBL1258471 | N4-(3-morpholinopropyl)-N6-(4-(tri...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(NCCCN3CCOCC3)ncn2)cc1
Show InChI InChI=1S/C18H22F3N5O2/c19-18(20,21)28-15-4-2-14(3-5-15)25-17-12-16(23-13-24-17)22-6-1-7-26-8-10-27-11-9-26/h2-5,12-13H,1,6-11H2,(H2,22,23,24,25)
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n/an/an/an/a 4.47E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328146
PNG
(2-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NC(=O)c1ccccc1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-12-7-5-11(6-8-12)25-16-9-15(23-10-24-16)13-3-1-2-4-14(13)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328151
PNG
(4-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C17H13F3N4O3S/c18-17(19,20)27-13-5-3-12(4-6-13)24-16-9-15(22-10-23-16)11-1-7-14(8-2-11)28(21,25)26/h1-10H,(H2,21,25,26)(H,22,23,24)
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n/an/an/an/a 120n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328135
PNG
(CHEMBL1257308 | N-(4-(6-(4-(trifluoromethoxy)pheny...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H15F3N4O3S/c1-29(26,27)25-14-4-2-12(3-5-14)16-10-17(23-11-22-16)24-13-6-8-15(9-7-13)28-18(19,20)21/h2-11,25H,1H3,(H,22,23,24)
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n/an/an/an/a 40n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328154
PNG
(CHEMBL1257538 | N-methyl-3-(6-(4-(trifluoromethoxy...)
Show SMILES CNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C19H15F3N4O2/c1-23-18(27)13-4-2-3-12(9-13)16-10-17(25-11-24-16)26-14-5-7-15(8-6-14)28-19(20,21)22/h2-11H,1H3,(H,23,27)(H,24,25,26)
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n/an/an/an/a 340n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328183
PNG
(CHEMBL1257309 | US9670214, TABLE 13.1 | methyl 4-(...)
Show SMILES COC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
Show InChI InChI=1S/C15H10F3N3O3S/c1-23-14(22)11-6-10-12(19-7-20-13(10)25-11)21-8-2-4-9(5-3-8)24-15(16,17)18/h2-7H,1H3,(H,19,20,21)
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n/an/an/an/a 5.60E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328185
PNG
(4-(4-(trifluoromethoxy)phenylamino)thieno[2,3-d]py...)
Show SMILES OC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
Show InChI InChI=1S/C14H8F3N3O3S/c15-14(16,17)23-8-3-1-7(2-4-8)20-11-9-5-10(13(21)22)24-12(9)19-6-18-11/h1-6H,(H,21,22)(H,18,19,20)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328188
PNG
(CHEMBL1257540 | US9670214, TABLE 13.11 | piperazin...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3sc(cc23)C(=O)N2CCNCC2)cc1
Show InChI InChI=1S/C18H16F3N5O2S/c19-18(20,21)28-12-3-1-11(2-4-12)25-15-13-9-14(29-16(13)24-10-23-15)17(27)26-7-5-22-6-8-26/h1-4,9-10,22H,5-8H2,(H,23,24,25)
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n/an/an/an/a 406n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328126
PNG
(1-((2,4-dimethylthiazol-5-yl)methyl)-N-(4-(trifluo...)
Show SMILES Cc1nc(C)c(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)s1
Show InChI InChI=1S/C18H15F3N6OS/c1-10-15(29-11(2)25-10)8-27-17-14(7-24-27)16(22-9-23-17)26-12-3-5-13(6-4-12)28-18(19,20)21/h3-7,9H,8H2,1-2H3,(H,22,23,26)
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n/an/an/an/a 6.92E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328134
PNG
(2-(pyridin-3-ylmethyl)-N-(4-(trifluoromethoxy)phen...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(Cc4cccnc4)cc23)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-5-3-13(4-6-14)25-16-15-10-27(26-17(15)24-11-23-16)9-12-2-1-7-22-8-12/h1-8,10-11H,9H2,(H,23,24,25,26)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50325999
PNG
(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
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n/an/an/a 92n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328141
PNG
(6-morpholino-N-(4-(trifluoromethoxy)phenyl)pyrimid...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)N2CCOCC2)cc1
Show InChI InChI=1S/C15H15F3N4O2/c16-15(17,18)24-12-3-1-11(2-4-12)21-13-9-14(20-10-19-13)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H,19,20,21)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328143
PNG
(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NC(=O)c1cccc(Oc2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1
Show InChI InChI=1S/C18H13F3N4O3/c19-18(20,21)28-13-6-4-12(5-7-13)25-15-9-16(24-10-23-15)27-14-3-1-2-11(8-14)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328136
PNG
(6-(1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)22-13-5-12(18-8-19-13)9-6-20-21-7-9/h1-8H,(H,20,21)(H,18,19,22)
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n/an/an/an/a 90n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328162
PNG
(6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-(trifluorom...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2ccnc3[nH]ccc23)cc1
Show InChI InChI=1S/C18H12F3N5O/c19-18(20,21)27-12-3-1-11(2-4-12)26-16-9-15(24-10-25-16)13-5-7-22-17-14(13)6-8-23-17/h1-10H,(H,22,23)(H,24,25,26)
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n/an/an/an/a 170n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328175
PNG
(CHEMBL1258810 | N2-(2-morpholinoethyl)-N6-(4-(trif...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cncc(NCCN3CCOCC3)n2)cc1
Show InChI InChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-13(2-4-14)23-16-12-21-11-15(24-16)22-5-6-25-7-9-26-10-8-25/h1-4,11-12H,5-10H2,(H2,22,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328193
PNG
(7-methyl-N-(4-(trifluoromethoxy)phenyl)-7H-pyrrolo...)
Show SMILES Cn1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C14H11F3N4O/c1-21-7-6-11-12(18-8-19-13(11)21)20-9-2-4-10(5-3-9)22-14(15,16)17/h2-8H,1H3,(H,18,19,20)
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n/an/an/an/a 6.89E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328194
PNG
(7-(2-morpholinoethyl)-N-(4-(trifluoromethoxy)pheny...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(CCN4CCOCC4)ccc23)cc1
Show InChI InChI=1S/C19H20F3N5O2/c20-19(21,22)29-15-3-1-14(2-4-15)25-17-16-5-6-27(18(16)24-13-23-17)8-7-26-9-11-28-12-10-26/h1-6,13H,7-12H2,(H,23,24,25)
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n/an/an/an/a 380n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328133
PNG
(2-benzyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazol...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(Cc4ccccc4)cc23)cc1
Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)28-15-8-6-14(7-9-15)25-17-16-11-27(26-18(16)24-12-23-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,23,24,25,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328144
PNG
(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NC(=O)c1cccc(Nc2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1
Show InChI InChI=1S/C18H14F3N5O2/c19-18(20,21)28-14-6-4-12(5-7-14)25-15-9-16(24-10-23-15)26-13-3-1-2-11(8-13)17(22)27/h1-10H,(H2,22,27)(H2,23,24,25,26)
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n/an/an/an/a 2.92E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328160
PNG
(6-(1H-indol-4-yl)-N-(4-(trifluoromethoxy)phenyl)py...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc3[nH]ccc23)cc1
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-13-6-4-12(5-7-13)26-18-10-17(24-11-25-18)14-2-1-3-16-15(14)8-9-23-16/h1-11,23H,(H,24,25,26)
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n/an/an/an/a 140n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328166
PNG
(CHEMBL1258243 | N4-(2-morpholinoethyl)-N6-(3-(trif...)
Show SMILES FC(F)(F)Oc1cccc(Nc2cc(NCCN3CCOCC3)ncn2)c1
Show InChI InChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-2-13(10-14)24-16-11-15(22-12-23-16)21-4-5-25-6-8-26-9-7-25/h1-3,10-12H,4-9H2,(H2,21,22,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328169
PNG
(CHEMBL1258473 | N4-(2-morpholinoethyl)-N6-(4-(trif...)
Show SMILES FC(F)(F)c1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1
Show InChI InChI=1S/C17H20F3N5O/c18-17(19,20)13-1-3-14(4-2-13)24-16-11-15(22-12-23-16)21-5-6-25-7-9-26-10-8-25/h1-4,11-12H,5-10H2,(H2,21,22,23,24)
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n/an/an/an/a 920n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328181
PNG
(6-(pyridin-4-yl)-N-(6-(trifluoromethyl)pyridin-3-y...)
Show SMILES FC(F)(F)c1ccc(Nc2cc(ncn2)-c2ccncc2)cn1
Show InChI InChI=1S/C15H10F3N5/c16-15(17,18)13-2-1-11(8-20-13)23-14-7-12(21-9-22-14)10-3-5-19-6-4-10/h1-9H,(H,21,22,23)
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n/an/an/an/a 1.24E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328184
PNG
((4-(4-(trifluoromethoxy)phenylamino)thieno[2,3-d]p...)
Show SMILES OCc1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
Show InChI InChI=1S/C14H10F3N3O2S/c15-14(16,17)22-9-3-1-8(2-4-9)20-12-11-5-10(6-21)23-13(11)19-7-18-12/h1-5,7,21H,6H2,(H,18,19,20)
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n/an/an/an/a 330n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328190
PNG
((4-hydroxypiperidin-1-yl)(4-(4-(trifluoromethoxy)p...)
Show SMILES OC1CCN(CC1)C(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
Show InChI InChI=1S/C19H17F3N4O3S/c20-19(21,22)29-13-3-1-11(2-4-13)25-16-14-9-15(30-17(14)24-10-23-16)18(28)26-7-5-12(27)6-8-26/h1-4,9-10,12,27H,5-8H2,(H,23,24,25)
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n/an/an/an/a 1.96E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328197
PNG
(3-(4-(4-(trifluoromethoxy)phenylamino)-7H-pyrrolo[...)
Show SMILES NC(=O)CCn1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C16H14F3N5O2/c17-16(18,19)26-11-3-1-10(2-4-11)23-14-12-5-7-24(8-6-13(20)25)15(12)22-9-21-14/h1-5,7,9H,6,8H2,(H2,20,25)(H,21,22,23)
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n/an/an/an/a 490n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328198
PNG
(2-(4-(4-(Trifluoromethoxy)phenylamino)-1H-pyrazolo...)
Show SMILES OCCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C14H12F3N5O2/c15-14(16,17)24-10-3-1-9(2-4-10)21-12-11-7-20-22(5-6-23)13(11)19-8-18-12/h1-4,7-8,23H,5-6H2,(H,18,19,21)
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n/an/an/an/a 250n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328199
PNG
(1-ethyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo...)
Show SMILES CCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C14H12F3N5O/c1-2-22-13-11(7-20-22)12(18-8-19-13)21-9-3-5-10(6-4-9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,19,21)
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n/an/an/an/a 300n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328124
PNG
(1-tert-butyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyr...)
Show SMILES CC(C)(C)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C16H16F3N5O/c1-15(2,3)24-14-12(8-22-24)13(20-9-21-14)23-10-4-6-11(7-5-10)25-16(17,18)19/h4-9H,1-3H3,(H,20,21,23)
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n/an/an/an/a 160n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328125
PNG
(1-(pyridin-4-ylmethyl)-N-(4-(trifluoromethoxy)phen...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccncc4)ncc23)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-3-1-13(2-4-14)26-16-15-9-25-27(17(15)24-11-23-16)10-12-5-7-22-8-6-12/h1-9,11H,10H2,(H,23,24,26)
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n/an/an/an/a 2.96E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328130
PNG
(2-propyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazol...)
Show SMILES CCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C15H14F3N5O/c1-2-7-23-8-12-13(19-9-20-14(12)22-23)21-10-3-5-11(6-4-10)24-15(16,17)18/h3-6,8-9H,2,7H2,1H3,(H,19,20,21,22)
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n/an/an/an/a 160n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328131
PNG
(2-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyr...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(cc23)C2CCCCC2)cc1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)24-16-15-10-26(13-4-2-1-3-5-13)25-17(15)23-11-22-16/h6-11,13H,1-5H2,(H,22,23,24,25)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328135
PNG
(CHEMBL1257308 | N-(4-(6-(4-(trifluoromethoxy)pheny...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H15F3N4O3S/c1-29(26,27)25-14-4-2-12(3-5-14)16-10-17(23-11-22-16)24-13-6-8-15(9-7-13)28-18(19,20)21/h2-11,25H,1H3,(H,22,23,24)
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n/an/an/a 114n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328137
PNG
(6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethox...)
Show SMILES Cn1cc(cn1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C15H12F3N5O/c1-23-8-10(7-21-23)13-6-14(20-9-19-13)22-11-2-4-12(5-3-11)24-15(16,17)18/h2-9H,1H3,(H,19,20,22)
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n/an/an/a 57n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50325999
PNG
(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
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n/an/an/an/a 140n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328152
PNG
(CHEMBL1257423 | N-(2-hydroxyethyl)-3-(6-(4-(triflu...)
Show SMILES OCCNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-6-4-15(5-7-16)27-18-11-17(25-12-26-18)13-2-1-3-14(10-13)19(29)24-8-9-28/h1-7,10-12,28H,8-9H2,(H,24,29)(H,25,26,27)
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n/an/an/an/a 430n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328155
PNG
(CHEMBL1257539 | morpholino(3-(6-(4-(trifluorometho...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc(c2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C22H19F3N4O3/c23-22(24,25)32-18-6-4-17(5-7-18)28-20-13-19(26-14-27-20)15-2-1-3-16(12-15)21(30)29-8-10-31-11-9-29/h1-7,12-14H,8-11H2,(H,26,27,28)
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n/an/an/an/a 240n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328159
PNG
(6-(1-(pyridin-3-ylmethyl)-1H-pyrazol-4-yl)-N-(4-(t...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cnn(Cc3cccnc3)c2)cc1
Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)30-17-5-3-16(4-6-17)28-19-8-18(25-13-26-19)15-10-27-29(12-15)11-14-2-1-7-24-9-14/h1-10,12-13H,11H2,(H,25,26,28)
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n/an/an/an/a 400n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328168
PNG
(CHEMBL1258360 | N-(2-morpholinoethyl)-6-(4-(triflu...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cc(NCCN2CCOCC2)ncn1
Show InChI InChI=1S/C17H19F3N4O2/c18-17(19,20)26-14-3-1-13(2-4-14)15-11-16(23-12-22-15)21-5-6-24-7-9-25-10-8-24/h1-4,11-12H,5-10H2,(H,21,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328170
PNG
(CHEMBL1258474 | N4-(2-morpholinoethyl)-N6-(4-(trif...)
Show SMILES FC(F)(F)Oc1ccc(CNc2cc(NCCN3CCOCC3)ncn2)cc1
Show InChI InChI=1S/C18H22F3N5O2/c19-18(20,21)28-15-3-1-14(2-4-15)12-23-17-11-16(24-13-25-17)22-5-6-26-7-9-27-10-8-26/h1-4,11,13H,5-10,12H2,(H2,22,23,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328174
PNG
(CHEMBL1258693 | N2-(2-morpholinoethyl)-N4-(4-(trif...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ccnc(NCCN3CCOCC3)n2)cc1
Show InChI InChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-13(2-4-14)23-15-5-6-21-16(24-15)22-7-8-25-9-11-26-12-10-25/h1-6H,7-12H2,(H2,21,22,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328180
PNG
(6-(pyridin-4-yl)-N-(4-(trifluoromethyl)phenyl)pyri...)
Show SMILES FC(F)(F)c1ccc(Nc2cc(ncn2)-c2ccncc2)cc1
Show InChI InChI=1S/C16H11F3N4/c17-16(18,19)12-1-3-13(4-2-12)23-15-9-14(21-10-22-15)11-5-7-20-8-6-11/h1-10H,(H,21,22,23)
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n/an/an/an/a 1.27E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328186
PNG
(CHEMBL1257425 | N-(2-Hydroxyethyl)-4-(4-(trifluoro...)
Show SMILES OCCNC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
Show InChI InChI=1S/C16H13F3N4O3S/c17-16(18,19)26-10-3-1-9(2-4-10)23-13-11-7-12(14(25)20-5-6-24)27-15(11)22-8-21-13/h1-4,7-8,24H,5-6H2,(H,20,25)(H,21,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328187
PNG
(CHEMBL1257426 | N-ethyl-4-(4-(trifluoromethoxy)phe...)
Show SMILES CCNC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
Show InChI InChI=1S/C16H13F3N4O2S/c1-2-20-14(24)12-7-11-13(21-8-22-15(11)26-12)23-9-3-5-10(6-4-9)25-16(17,18)19/h3-8H,2H2,1H3,(H,20,24)(H,21,22,23)
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n/an/an/an/a 918n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328200
PNG
(1-propyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazol...)
Show SMILES CCCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C15H14F3N5O/c1-2-7-23-14-12(8-21-23)13(19-9-20-14)22-10-3-5-11(6-4-10)24-15(16,17)18/h3-6,8-9H,2,7H2,1H3,(H,19,20,22)
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n/an/an/an/a 270n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328121
PNG
(1-(pyridin-3-ylmethyl)-N-(4-(trifluoromethoxy)phen...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4cccnc4)ncc23)cc1
Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-5-3-13(4-6-14)26-16-15-9-25-27(17(15)24-11-23-16)10-12-2-1-7-22-8-12/h1-9,11H,10H2,(H,23,24,26)
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n/an/an/an/a 7.15E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328127
PNG
(CHEMBL1258694 | N-(4-(trifluoromethoxy)phenyl)-1H-...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n[nH]cc23)cc1
Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)21-8-3-1-7(2-4-8)19-10-9-5-18-20-11(9)17-6-16-10/h1-6H,(H2,16,17,18,19,20)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328129
PNG
(2-ethyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazolo...)
Show SMILES CCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C14H12F3N5O/c1-2-22-7-11-12(18-8-19-13(11)21-22)20-9-3-5-10(6-4-9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,19,20,21)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328136
PNG
(6-(1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cn[nH]c2)cc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)22-13-5-12(18-8-19-13)9-6-20-21-7-9/h1-8H,(H,20,21)(H,18,19,22)
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n/an/an/a 43n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328122
PNG
(4-((4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazol...)
Show SMILES NC(=O)c1ccc(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)cc1
Show InChI InChI=1S/C20H15F3N6O2/c21-20(22,23)31-15-7-5-14(6-8-15)28-18-16-9-27-29(19(16)26-11-25-18)10-12-1-3-13(4-2-12)17(24)30/h1-9,11H,10H2,(H2,24,30)(H,25,26,28)
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n/an/an/a 598n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328126
PNG
(1-((2,4-dimethylthiazol-5-yl)methyl)-N-(4-(trifluo...)
Show SMILES Cc1nc(C)c(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)s1
Show InChI InChI=1S/C18H15F3N6OS/c1-10-15(29-11(2)25-10)8-27-17-14(7-24-27)16(22-9-23-17)26-12-3-5-13(6-4-12)28-18(19,20)21/h3-7,9H,8H2,1-2H3,(H,22,23,26)
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n/an/an/a 526n/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328148
PNG
(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C17H13F3N4O3S/c18-17(19,20)27-13-6-4-12(5-7-13)24-16-9-15(22-10-23-16)11-2-1-3-14(8-11)28(21,25)26/h1-10H,(H2,21,25,26)(H,22,23,24)
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n/an/an/an/a 580n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328153
PNG
(CHEMBL1257424 | N-(2-morpholinoethyl)-3-(6-(4-(tri...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc(c2)C(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C24H24F3N5O3/c25-24(26,27)35-20-6-4-19(5-7-20)31-22-15-21(29-16-30-22)17-2-1-3-18(14-17)23(33)28-8-9-32-10-12-34-13-11-32/h1-7,14-16H,8-13H2,(H,28,33)(H,29,30,31)
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n/an/an/an/a 420n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328171
PNG
(5-methyl-N4-(2-morpholinoethyl)-N6-(4-(trifluorome...)
Show SMILES Cc1c(NCCN2CCOCC2)ncnc1Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H22F3N5O2/c1-13-16(22-6-7-26-8-10-27-11-9-26)23-12-24-17(13)25-14-2-4-15(5-3-14)28-18(19,20)21/h2-5,12H,6-11H2,1H3,(H2,22,23,24,25)
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n/an/an/an/a 970n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328179
PNG
(CHEMBL1258926 | N-(4-methoxyphenyl)-6-(pyridin-4-y...)
Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccncc2)cc1
Show InChI InChI=1S/C16H14N4O/c1-21-14-4-2-13(3-5-14)20-16-10-15(18-11-19-16)12-6-8-17-9-7-12/h2-11H,1H3,(H,18,19,20)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328195
PNG
(7-(4-methoxybenzyl)-N-(4-(trifluoromethoxy)phenyl)...)
Show SMILES COc1ccc(Cn2ccc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)cc1
Show InChI InChI=1S/C21H17F3N4O2/c1-29-16-6-2-14(3-7-16)12-28-11-10-18-19(25-13-26-20(18)28)27-15-4-8-17(9-5-15)30-21(22,23)24/h2-11,13H,12H2,1H3,(H,25,26,27)
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n/an/an/an/a 9.68E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328196
PNG
(CHEMBL1257900 | N-(3-methoxypropyl)-3-(4-(4-(trifl...)
Show SMILES COCCCNC(=O)CCn1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C20H22F3N5O3/c1-30-12-2-9-24-17(29)8-11-28-10-7-16-18(25-13-26-19(16)28)27-14-3-5-15(6-4-14)31-20(21,22)23/h3-7,10,13H,2,8-9,11-12H2,1H3,(H,24,29)(H,25,26,27)
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n/an/an/an/a 760n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328201
PNG
(1-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyr...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(ncc23)C2CCCCC2)cc1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)25-16-15-10-24-26(17(15)23-11-22-16)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,22,23,25)
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n/an/an/an/a 400n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328123
PNG
(1-((tetrahydrofuran-3-yl)methyl)-N-(4-(trifluorome...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(CC4CCOC4)ncc23)cc1
Show InChI InChI=1S/C17H16F3N5O2/c18-17(19,20)27-13-3-1-12(2-4-13)24-15-14-7-23-25(16(14)22-10-21-15)8-11-5-6-26-9-11/h1-4,7,10-11H,5-6,8-9H2,(H,21,22,24)
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n/an/an/an/a 690n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328132
PNG
(2-(4-(4-(trifluoromethoxy)phenylamino)-2H-pyrazolo...)
Show SMILES NC(=O)Cn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1
Show InChI InChI=1S/C14H11F3N6O2/c15-14(16,17)25-9-3-1-8(2-4-9)21-12-10-5-23(6-11(18)24)22-13(10)20-7-19-12/h1-5,7H,6H2,(H2,18,24)(H,19,20,21,22)
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n/an/an/an/a 4.34E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328142
PNG
(6-(1H-imidazol-1-yl)-N-(4-(trifluoromethoxy)phenyl...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-n2ccnc2)cc1
Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)21-12-7-13(20-8-19-12)22-6-5-18-9-22/h1-9H,(H,19,20,21)
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n/an/an/an/a 1.66E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328150
PNG
(6-(3-aminophenyl)-N-(4-(trifluoromethoxy)phenyl)py...)
Show SMILES Nc1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C17H13F3N4O/c18-17(19,20)25-14-6-4-13(5-7-14)24-16-9-15(22-10-23-16)11-2-1-3-12(21)8-11/h1-10H,21H2,(H,22,23,24)
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n/an/an/an/a 330n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328157
PNG
(6-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-N-(4-(triflu...)
Show SMILES Cc1c(cnn1-c1ccccc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C21H16F3N5O/c1-14-18(12-27-29(14)16-5-3-2-4-6-16)19-11-20(26-13-25-19)28-15-7-9-17(10-8-15)30-21(22,23)24/h2-13H,1H3,(H,25,26,28)
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n/an/an/an/a 810n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328158
PNG
(CHEMBL1257780 | N-(4-(trifluoromethoxy)phenyl)-6-(...)
Show SMILES Cc1nn(C)c(C)c1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
Show InChI InChI=1S/C17H16F3N5O/c1-10-16(11(2)25(3)24-10)14-8-15(22-9-21-14)23-12-4-6-13(7-5-12)26-17(18,19)20/h4-9H,1-3H3,(H,21,22,23)
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n/an/an/an/a 150n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328161
PNG
(6-(1H-indol-5-yl)-N-(4-(trifluoromethoxy)phenyl)py...)
Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2ccc3[nH]ccc3c2)cc1
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-15-4-2-14(3-5-15)26-18-10-17(24-11-25-18)12-1-6-16-13(9-12)7-8-23-16/h1-11,23H,(H,24,25,26)
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n/an/an/an/a 290n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328178
PNG
(CHEMBL1256106 | N-(4-fluorophenyl)-6-(pyridin-4-yl...)
Show SMILES Fc1ccc(Nc2cc(ncn2)-c2ccncc2)cc1
Show InChI InChI=1S/C15H11FN4/c16-12-1-3-13(4-2-12)20-15-9-14(18-10-19-15)11-5-7-17-8-6-11/h1-10H,(H,18,19,20)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328182
PNG
(CHEMBL1257193 | N2-(2-morpholinoethyl)-N4-(4-(trif...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc(NCCN3CCOCC3)n2)cc1
Show InChI InChI=1S/C16H19F3N6O2/c17-16(18,19)27-13-3-1-12(2-4-13)23-15-22-11-21-14(24-15)20-5-6-25-7-9-26-10-8-25/h1-4,11H,5-10H2,(H2,20,21,22,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328138
PNG
((4-methylpiperazin-1-yl)(4-(4-(trifluoromethoxy)ph...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
Show InChI InChI=1S/C19H18F3N5O2S/c1-26-6-8-27(9-7-26)18(28)15-10-14-16(23-11-24-17(14)30-15)25-12-2-4-13(5-3-12)29-19(20,21)22/h2-5,10-11H,6-9H2,1H3,(H,23,24,25)
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n/an/an/an/a 48n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328189
PNG
((4-(pyrrolidin-1-yl)piperazin-1-yl)(4-(4-(trifluor...)
Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3sc(cc23)C(=O)N2CCN(CC2)N2CCCC2)cc1
Show InChI InChI=1S/C22H23F3N6O2S/c23-22(24,25)33-16-5-3-15(4-6-16)28-19-17-13-18(34-20(17)27-14-26-19)21(32)29-9-11-31(12-10-29)30-7-1-2-8-30/h3-6,13-14H,1-2,7-12H2,(H,26,27,28)
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n/an/an/an/a 1.34E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50328202
PNG
(2-(4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazolo...)
Show SMILES NC(=O)Cn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C14H11F3N6O2/c15-14(16,17)25-9-3-1-8(2-4-9)22-12-10-5-21-23(6-11(18)24)13(10)20-7-19-12/h1-5,7H,6H2,(H2,18,24)(H,19,20,22)
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n/an/an/an/a 350n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells


J Med Chem 53: 6934-46 (2010)


Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%