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Found 520 hits Enz. Inhib. hit(s) with Target = 'Breakpoint cluster region protein /Tyrosine-protein kinase ABL'   
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))
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))
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))
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/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))
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))
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))
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))
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))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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14n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl


Chem Biol 12: 621-37 (2005)


Article DOI: 10.1016/j.chembiol.2005.04.011
BindingDB Entry DOI: 10.7270/Q2R49RR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 20n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl fusion protein


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/a 2n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl fusion protein


J Med Chem 49: 5759-68 (2006)


Article DOI: 10.1021/jm060380k
BindingDB Entry DOI: 10.7270/Q21Z4416
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50181672
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
Show InChI InChI=1S/C26H28N4O4/c1-29-10-12-30(13-11-29)9-8-18-2-5-21(6-3-18)28-26(32)22-14-20(16-27-25(22)31)19-4-7-23-24(15-19)34-17-33-23/h2-7,14-16H,8-13,17H2,1H3,(H,27,31)(H,28,32)
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n/an/a 9.50E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against human BCR-ABL positive chronic myeloid leukemia K562 cell line


J Med Chem 49: 1006-15 (2006)


Article DOI: 10.1021/jm050824x
BindingDB Entry DOI: 10.7270/Q2H994T6
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50181670
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2cc(c[nH]c2=O)-c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H24N4O4/c1-27-8-10-28(11-9-27)19-5-3-18(4-6-19)26-24(30)20-12-17(14-25-23(20)29)16-2-7-21-22(13-16)32-15-31-21/h2-7,12-14H,8-11,15H2,1H3,(H,25,29)(H,26,30)
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n/an/a 3.80E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against human BCR-ABL positive chronic myeloid leukemia K562 cell line


J Med Chem 49: 1006-15 (2006)


Article DOI: 10.1021/jm050824x
BindingDB Entry DOI: 10.7270/Q2H994T6
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50181669
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
Show InChI InChI=1S/C25H26N4O4/c1-28-8-10-29(11-9-28)15-17-2-5-20(6-3-17)27-25(31)21-12-19(14-26-24(21)30)18-4-7-22-23(13-18)33-16-32-22/h2-7,12-14H,8-11,15-16H2,1H3,(H,26,30)(H,27,31)
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n/an/a 1.29E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against human BCR-ABL positive chronic myeloid leukemia K562 cell line


J Med Chem 49: 1006-15 (2006)


Article DOI: 10.1021/jm050824x
BindingDB Entry DOI: 10.7270/Q2H994T6
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50181675
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES CN1CCN(CCCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-11-13-31(14-12-30)10-2-3-19-4-7-22(8-5-19)29-27(33)23-15-21(17-28-26(23)32)20-6-9-24-25(16-20)35-18-34-24/h4-9,15-17H,2-3,10-14,18H2,1H3,(H,28,32)(H,29,33)
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n/an/a 1.46E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against human BCR-ABL positive chronic myeloid leukemia K562 cell line


J Med Chem 49: 1006-15 (2006)


Article DOI: 10.1021/jm050824x
BindingDB Entry DOI: 10.7270/Q2H994T6
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl kinase


J Med Chem 47: 6658-61 (2004)


Article DOI: 10.1021/jm049486a
BindingDB Entry DOI: 10.7270/Q2ZG6RRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 204n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Bcr-abl tyrosine phosphorylation in mouse BA/F3ells p210 Bcr-abl after 90 mins by ELISA


Nat Chem Biol 2: 95-102 (2006)


Article DOI: 10.1038/nchembio760
BindingDB Entry DOI: 10.7270/Q2H41RNN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/a 267n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Bcr-abl tyrosine phosphorylation in mouse BA/F3ells p210 Bcr-abl after 90 mins by ELISA


Nat Chem Biol 2: 95-102 (2006)


Article DOI: 10.1038/nchembio760
BindingDB Entry DOI: 10.7270/Q2H41RNN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326082
PNG
((E)-4-(2-(4-Bromobenzylthio)-3-(4-fluoro-3-methoxy...)
Show SMILES COc1cc(\C=C(\SCc2ccc(Br)cc2)C(=O)c2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C24H18BrFO4S/c1-30-21-12-16(4-11-20(21)26)13-22(31-14-15-2-9-19(25)10-3-15)23(27)17-5-7-18(8-6-17)24(28)29/h2-13H,14H2,1H3,(H,28,29)/b22-13+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326067
PNG
((E)-4-(2-(4-Fluorobenzylthio)-3-(4-bromo-3-nitroph...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(F)cc1)=C/c1ccc(Br)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H15BrFNO5S/c24-19-10-3-15(11-20(19)26(30)31)12-21(32-13-14-1-8-18(25)9-2-14)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
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n/an/a 1.50E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326081
PNG
((E)-4-(2-(4-Bromophenylthio)-3-(4-fluoro-3-nitroph...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\Sc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H13BrFNO5S/c23-16-6-8-17(9-7-16)31-20(12-13-1-10-18(24)19(11-13)25(29)30)21(26)14-2-4-15(5-3-14)22(27)28/h1-12H,(H,27,28)/b20-12+
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n/an/a 2.00E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326068
PNG
((E)-3-(4-Fluoro-3-nitrophenyl)-2-(4-fluorobenzylth...)
Show SMILES [O-][N+](=O)c1cc(\C=C(\SCc2ccc(F)cc2)C(=O)c2ccc(F)cc2)ccc1F
Show InChI InChI=1S/C22H14F3NO3S/c23-17-6-1-14(2-7-17)13-30-21(22(27)16-4-8-18(24)9-5-16)12-15-3-10-19(25)20(11-15)26(28)29/h1-12H,13H2/b21-12+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326092
PNG
((E)-3-(4-Fluoro-3-nitrophenyl)-2-(4-fluorobenzylth...)
Show SMILES OCCN1CCN(CC1)C(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(F)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C29H27F2N3O5S/c30-24-8-1-20(2-9-24)19-40-27(18-21-3-10-25(31)26(17-21)34(38)39)28(36)22-4-6-23(7-5-22)29(37)33-13-11-32(12-14-33)15-16-35/h1-10,17-18,35H,11-16,19H2/b27-18+
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n/an/a 500n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326062
PNG
((E)-4-(2-(4-Chlorobenzylthio)-3-(4-fluoro-3-nitrop...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Cl)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H15ClFNO5S/c24-18-8-1-14(2-9-18)13-32-21(12-15-3-10-19(25)20(11-15)26(30)31)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326064
PNG
((E)-4-(2-(4-Chlorobenzylthio)-3-(4-bromo-3-nitroph...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Cl)cc1)=C/c1ccc(Br)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H15BrClNO5S/c24-19-10-3-15(11-20(19)26(30)31)12-21(32-13-14-1-8-18(25)9-2-14)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326061
PNG
((E)-4-(2-(4-Bromobenzylthio)-3-(4-fluoro-3-nitroph...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H15BrFNO5S/c24-18-8-1-14(2-9-18)13-32-21(12-15-3-10-19(25)20(11-15)26(30)31)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
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n/an/a 500n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326063
PNG
((E)-4-(2-(4-Chlorobenzylthio)-3-(4-chloro-3-nitrop...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Cl)cc1)=C/c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H15Cl2NO5S/c24-18-8-1-14(2-9-18)13-32-21(12-15-3-10-19(25)20(11-15)26(30)31)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326059
PNG
((E)-4-(2-(4-Bromobenzylthio)-3-(4-chloro-3-nitroph...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H15BrClNO5S/c24-18-8-1-14(2-9-18)13-32-21(12-15-3-10-19(25)20(11-15)26(30)31)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326091
PNG
((E)-4-(2-(4-Bromobenzylthio)-3-(4-fluoro-3-nitroph...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C29H29BrFN3O4S/c1-3-33(4-2)16-15-32-29(36)23-10-8-22(9-11-23)28(35)27(39-19-20-5-12-24(30)13-6-20)18-21-7-14-25(31)26(17-21)34(37)38/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,32,36)/b27-18+
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n/an/a 500n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326072
PNG
((E)-4-(3-(4-Fluoro-3-nitrophenyl)-2-(2,4-dichlorob...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Cl)cc1Cl)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H14Cl2FNO5S/c24-17-7-6-16(18(25)11-17)12-33-21(10-13-1-8-19(26)20(9-13)27(31)32)22(28)14-2-4-15(5-3-14)23(29)30/h1-11H,12H2,(H,29,30)/b21-10+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 750n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326071
PNG
((E)-4-(3-(4-Chloro-3-nitrophenyl)-2-(2,4-dichlorob...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Cl)cc1Cl)=C/c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H14Cl3NO5S/c24-17-7-6-16(19(26)11-17)12-33-21(10-13-1-8-18(25)20(9-13)27(31)32)22(28)14-2-4-15(5-3-14)23(29)30/h1-11H,12H2,(H,29,30)/b21-10+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326078
PNG
((E)-4-(2-(4-Bromobenzylsulfinyl)-3-(4-fluoro-3-nit...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(=Cc1ccc(F)c(c1)[N+]([O-])=O)S(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C23H15BrFNO6S/c24-18-8-1-14(2-9-18)13-33(32)21(12-15-3-10-19(25)20(11-15)26(30)31)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326080
PNG
((E)-4-(2-(4-Bromobenzylsulfonyl)-3-(4-chloro-3-nit...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(=C/c1ccc(Cl)c(c1)[N+]([O-])=O)\S(=O)(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C23H15BrClNO7S/c24-18-8-1-14(2-9-18)13-34(32,33)21(12-15-3-10-19(25)20(11-15)26(30)31)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326087
PNG
((E)-4-(2-(4-Bromobenzylthio)-3-(4-fluoro-2-nitroph...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H15BrFNO5S/c24-18-8-1-14(2-9-18)13-32-21(11-17-7-10-19(25)12-20(17)26(30)31)22(27)15-3-5-16(6-4-15)23(28)29/h1-12H,13H2,(H,28,29)/b21-11+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326077
PNG
((E)-4-(2-(Benzylthio)-3-(4-fluoro-3-nitrophenyl)ac...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccccc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H16FNO5S/c24-19-11-6-16(12-20(19)25(29)30)13-21(31-14-15-4-2-1-3-5-15)22(26)17-7-9-18(10-8-17)23(27)28/h1-13H,14H2,(H,27,28)/b21-13+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326079
PNG
((E)-4-(2-(4-Bromobenzylsulfonyl)-3-(4-fluoro-3-nit...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(=C/c1ccc(F)c(c1)[N+]([O-])=O)\S(=O)(=O)Cc1ccc(Br)cc1
Show InChI InChI=1S/C23H15BrFNO7S/c24-18-8-1-14(2-9-18)13-34(32,33)21(12-15-3-10-19(25)20(11-15)26(30)31)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326084
PNG
((E)-4-(2-(4-Bromobenzylthio)-3-(4-hydroxy-3-nitrop...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H16BrNO6S/c24-18-8-1-14(2-9-18)13-32-21(12-15-3-10-20(26)19(11-15)25(30)31)22(27)16-4-6-17(7-5-16)23(28)29/h1-12,26H,13H2,(H,28,29)/b21-12+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326085
PNG
((E)-4-(2-(4-Bromobenzylthio)-3-(2-fluoro-5-nitroph...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1cc(ccc1F)[N+]([O-])=O
Show InChI InChI=1S/C23H15BrFNO5S/c24-18-7-1-14(2-8-18)13-32-21(12-17-11-19(26(30)31)9-10-20(17)25)22(27)15-3-5-16(6-4-15)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326090
PNG
((E)-2-(4-Bromobenzylthio)-3-(4-fluoro-3-nitropheny...)
Show SMILES OCCN1CCN(CC1)C(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C29H27BrFN3O5S/c30-24-8-1-20(2-9-24)19-40-27(18-21-3-10-25(31)26(17-21)34(38)39)28(36)22-4-6-23(7-5-22)29(37)33-13-11-32(12-14-33)15-16-35/h1-10,17-18,35H,11-16,19H2/b27-18+
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n/an/a 500n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326088
PNG
((E)-4-(2-(4-Bromobenzylthio)-3-(2-fluoro-4-nitroph...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(cc1F)[N+]([O-])=O
Show InChI InChI=1S/C23H15BrFNO5S/c24-18-8-1-14(2-9-18)13-32-21(11-17-7-10-19(26(30)31)12-20(17)25)22(27)15-3-5-16(6-4-15)23(28)29/h1-12H,13H2,(H,28,29)/b21-11+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326075
PNG
((E)-4-(3-(4-Fluoro-3-nitrophenyl)-2-(4-(trifluorom...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(cc1)C(F)(F)F)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H15F4NO5S/c25-19-10-3-15(11-20(19)29(33)34)12-21(22(30)16-4-6-17(7-5-16)23(31)32)35-13-14-1-8-18(9-2-14)24(26,27)28/h1-12H,13H2,(H,31,32)/b21-12+
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n/an/a 200n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326089
PNG
((E)-4-(2-(4-Bromobenzylthio)-3-(4-fluoro-3-nitroph...)
Show SMILES CN1CCN(CCNC(=O)c2ccc(cc2)C(=O)C(\SCc2ccc(Br)cc2)=C/c2ccc(F)c(c2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C30H30BrFN4O4S/c1-34-14-16-35(17-15-34)13-12-33-30(38)24-7-5-23(6-8-24)29(37)28(41-20-21-2-9-25(31)10-3-21)19-22-4-11-26(32)27(18-22)36(39)40/h2-11,18-19H,12-17,20H2,1H3,(H,33,38)/b28-19+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326086
PNG
((E)-4-(2-(4-Bromobenzylthio)-3-(3-fluoro-4-nitroph...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(c(F)c1)[N+]([O-])=O
Show InChI InChI=1S/C23H15BrFNO5S/c24-18-8-1-14(2-9-18)13-32-21(12-15-3-10-20(26(30)31)19(25)11-15)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326066
PNG
((E)-4-(2-(4-Fluorobenzylthio)-3-(4-fluoro-3-nitrop...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(F)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H15F2NO5S/c24-18-8-1-14(2-9-18)13-32-21(12-15-3-10-19(25)20(11-15)26(30)31)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326074
PNG
((E)-4-(3-(4-Fluoro-3-nitrophenyl)-2-(4-methylbenzy...)
Show SMILES Cc1ccc(CS\C(=C\c2ccc(F)c(c2)[N+]([O-])=O)C(=O)c2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C24H18FNO5S/c1-15-2-4-16(5-3-15)14-32-22(13-17-6-11-20(25)21(12-17)26(30)31)23(27)18-7-9-19(10-8-18)24(28)29/h2-13H,14H2,1H3,(H,28,29)/b22-13+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326076
PNG
((E)-methyl 4-(2-(4-bromobenzylthio)-3-(4-fluoro-3-...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H17BrFNO5S/c1-32-24(29)18-7-5-17(6-8-18)23(28)22(33-14-15-2-9-19(25)10-3-15)13-16-4-11-20(26)21(12-16)27(30)31/h2-13H,14H2,1H3/b22-13+
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n/an/a 750n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326065
PNG
((E)-4-(2-(4-Fluorobenzylthio)-3-(4-chloro-3-nitrop...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(F)cc1)=C/c1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H15ClFNO5S/c24-19-10-3-15(11-20(19)26(30)31)12-21(32-13-14-1-8-18(25)9-2-14)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326073
PNG
((E)-4-(3-(4-Bromo-3-nitrophenyl)-2-(2,4-dichlorobe...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Cl)cc1Cl)=C/c1ccc(Br)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H14BrCl2NO5S/c24-18-8-1-13(9-20(18)27(31)32)10-21(33-12-16-6-7-17(25)11-19(16)26)22(28)14-2-4-15(5-3-14)23(29)30/h1-11H,12H2,(H,29,30)/b21-10+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of BCR/ABL p210 autophosphorylation in human K562 cells after 2 hrs by Western blot analysis


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50326061
PNG
((E)-4-(2-(4-Bromobenzylthio)-3-(4-fluoro-3-nitroph...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H15BrFNO5S/c24-18-8-1-14(2-9-18)13-32-21(12-15-3-10-19(25)20(11-15)26(30)31)22(27)16-4-6-17(7-5-16)23(28)29/h1-12H,13H2,(H,28,29)/b21-12+
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n/an/a 750n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl after 20 mins by autoradiography


Bioorg Med Chem 18: 2317-26 (2010)


Article DOI: 10.1016/j.bmc.2010.01.051
BindingDB Entry DOI: 10.7270/Q21Z44N8
More data for this
Ligand-Target Pair
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