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PubMed code 16686543

Compile data set for download or QSAR
Found 44 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 ABL1


(Homo sapiens (Human))		BDBM50186763
PNG
(4,3'',5''-trimethoxy-[1,1';2',1'']-terphenyl | CHE...)
Show SMILES COc1ccc(cc1)-c1ccccc1-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C21H20O3/c1-22-17-10-8-15(9-11-17)20-6-4-5-7-21(20)16-12-18(23-2)14-19(13-16)24-3/h4-14H,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186764
PNG
(2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-6-methoxyphen...)
Show SMILES COc1cc(OC)cc(\C=C\c2cccc(OC)c2O)c1
Show InChI InChI=1S/C17H18O4/c1-19-14-9-12(10-15(11-14)20-2)7-8-13-5-4-6-16(21-3)17(13)18/h4-11,18H,1-3H3/b8-7+
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186757
PNG
(CHEMBL208098 | [1,1';2',1'']-terphenyl-4,3'',5''-t...)
Show SMILES Oc1ccc(cc1)-c1ccccc1-c1cc(O)cc(O)c1
Show InChI InChI=1S/C18H14O3/c19-14-7-5-12(6-8-14)17-3-1-2-4-18(17)13-9-15(20)11-16(21)10-13/h1-11,19-21H
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186761
PNG
(4,3'',5''-trimethoxy-[1,1';3',1'']-terphenyl | CHE...)
Show SMILES COc1ccc(cc1)-c1cccc(c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C21H20O3/c1-22-19-9-7-15(8-10-19)16-5-4-6-17(11-16)18-12-20(23-2)14-21(13-18)24-3/h4-14H,1-3H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50131688
PNG
((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1
Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186757
PNG
(CHEMBL208098 | [1,1';2',1'']-terphenyl-4,3'',5''-t...)
Show SMILES Oc1ccc(cc1)-c1ccccc1-c1cc(O)cc(O)c1
Show InChI InChI=1S/C18H14O3/c19-14-7-5-12(6-8-14)17-3-1-2-4-18(17)13-9-15(20)11-16(21)10-13/h1-11,19-21H
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186750
PNG
(3'',5''-dimethoxy-[1,1';3',1'']-terphenyl-4-ol | C...)
Show SMILES COc1cc(OC)cc(c1)-c1cccc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18O3/c1-22-19-11-17(12-20(13-19)23-2)16-5-3-4-15(10-16)14-6-8-18(21)9-7-14/h3-13,21H,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186755
PNG
(3'',5''-dimethoxy-[1,1';2',1'']-terphenyl-4-ol | C...)
Show SMILES COc1cc(OC)cc(c1)-c1ccccc1-c1ccc(O)cc1
Show InChI InChI=1S/C20H18O3/c1-22-17-11-15(12-18(13-17)23-2)20-6-4-3-5-19(20)14-7-9-16(21)10-8-14/h3-13,21H,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186758
PNG
(6-(3,5-dimethoxy-phenyl)-naphthalen-2-ol | CHEMBL3...)
Show SMILES COc1cc(OC)cc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C18H16O3/c1-20-17-9-15(10-18(11-17)21-2)13-3-4-14-8-16(19)6-5-12(14)7-13/h3-11,19H,1-2H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186751
PNG
(4-chloro-2-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-ph...)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(Cl)ccc2O)c1
Show InChI InChI=1S/C16H15ClO3/c1-19-14-7-11(8-15(10-14)20-2)3-4-12-9-13(17)5-6-16(12)18/h3-10,18H,1-2H3/b4-3+
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n/an/a 1.60E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186763
PNG
(4,3'',5''-trimethoxy-[1,1';2',1'']-terphenyl | CHE...)
Show SMILES COc1ccc(cc1)-c1ccccc1-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C21H20O3/c1-22-17-10-8-15(9-11-17)20-6-4-5-7-21(20)16-12-18(23-2)14-19(13-16)24-3/h4-14H,1-3H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186756
PNG
(5-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-2-ethoxy-ph...)
Show SMILES CCOc1cc(\C=C\c2cc(OC)cc(OC)c2)ccc1O
Show InChI InChI=1S/C18H20O4/c1-4-22-18-11-13(7-8-17(18)19)5-6-14-9-15(20-2)12-16(10-14)21-3/h5-12,19H,4H2,1-3H3/b6-5+
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n/an/a 1.80E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186762
PNG
(CHEMBL427392 | [1,1':4',1'']Terphenyl-4,3'',5''-tr...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C18H14O3/c19-16-7-5-13(6-8-16)12-1-3-14(4-2-12)15-9-17(20)11-18(21)10-15/h1-11,19-21H
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186750
PNG
(3'',5''-dimethoxy-[1,1';3',1'']-terphenyl-4-ol | C...)
Show SMILES COc1cc(OC)cc(c1)-c1cccc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18O3/c1-22-19-11-17(12-20(13-19)23-2)16-5-3-4-15(10-16)14-6-8-18(21)9-7-14/h3-13,21H,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186749
PNG
(CHEMBL207941 | [1,1';3',1'']-terphenyl-4,3'',5''-t...)
Show SMILES Oc1ccc(cc1)-c1cccc(c1)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C18H14O3/c19-16-6-4-12(5-7-16)13-2-1-3-14(8-13)15-9-17(20)11-18(21)10-15/h1-11,19-21H
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186767
PNG
(5-(6-Hydroxy-naphthalen-2-yl)-benzene-1,3-diol | 5...)
Show SMILES Oc1cc(O)cc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O3/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16(19)8-13/h1-9,17-19H
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186762
PNG
(CHEMBL427392 | [1,1':4',1'']Terphenyl-4,3'',5''-tr...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C18H14O3/c19-16-7-5-13(6-8-16)12-1-3-14(4-2-12)15-9-17(20)11-18(21)10-15/h1-11,19-21H
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n/an/a 2.30E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186760
PNG
(4-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-2,6-dimetho...)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)c(O)c(OC)c2)c1
Show InChI InChI=1S/C18H20O5/c1-20-14-7-12(8-15(11-14)21-2)5-6-13-9-16(22-3)18(19)17(10-13)23-4/h5-11,19H,1-4H3/b6-5+
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n/an/a 2.30E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186765
PNG
(3'',5''-dimethoxy-[1,1';4,1'']-terphenyl-4-ol | CH...)
Show SMILES COc1cc(OC)cc(c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18O3/c1-22-19-11-17(12-20(13-19)23-2)16-5-3-14(4-6-16)15-7-9-18(21)10-8-15/h3-13,21H,1-2H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186766
PNG
(2-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-phenol | CH...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccccc2O)c1
Show InChI InChI=1S/C16H16O3/c1-18-14-9-12(10-15(11-14)19-2)7-8-13-5-3-4-6-16(13)17/h3-11,17H,1-2H3/b8-7+
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n/an/a 2.40E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186759
PNG
(3-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol | CH...)
Show SMILES COc1cc(OC)cc(\C=C\c2cccc(O)c2)c1
Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)7-6-12-4-3-5-14(17)8-12/h3-11,17H,1-2H3/b7-6+
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n/an/a 2.60E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186755
PNG
(3'',5''-dimethoxy-[1,1';2',1'']-terphenyl-4-ol | C...)
Show SMILES COc1cc(OC)cc(c1)-c1ccccc1-c1ccc(O)cc1
Show InChI InChI=1S/C20H18O3/c1-22-17-11-15(12-18(13-17)23-2)20-6-4-3-5-19(20)14-7-9-16(21)10-8-14/h3-13,21H,1-2H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 2.80E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186764
PNG
(2-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-6-methoxyphen...)
Show SMILES COc1cc(OC)cc(\C=C\c2cccc(OC)c2O)c1
Show InChI InChI=1S/C17H18O4/c1-19-14-9-12(10-15(11-14)20-2)7-8-13-5-4-6-16(21-3)17(13)18/h4-11,18H,1-3H3/b8-7+
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n/an/a 3.40E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186765
PNG
(3'',5''-dimethoxy-[1,1';4,1'']-terphenyl-4-ol | CH...)
Show SMILES COc1cc(OC)cc(c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18O3/c1-22-19-11-17(12-20(13-19)23-2)16-5-3-14(4-6-16)15-7-9-18(21)10-8-15/h3-13,21H,1-2H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186758
PNG
(6-(3,5-dimethoxy-phenyl)-naphthalen-2-ol | CHEMBL3...)
Show SMILES COc1cc(OC)cc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C18H16O3/c1-20-17-9-15(10-18(11-17)21-2)13-3-4-14-8-16(19)6-5-12(14)7-13/h3-11,19H,1-2H3
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n/an/a 4.20E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50131688
PNG
((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1
Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
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n/an/a 4.20E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186756
PNG
(5-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-2-ethoxy-ph...)
Show SMILES CCOc1cc(\C=C\c2cc(OC)cc(OC)c2)ccc1O
Show InChI InChI=1S/C18H20O4/c1-4-22-18-11-13(7-8-17(18)19)5-6-14-9-15(20-2)12-16(10-14)21-3/h5-12,19H,4H2,1-3H3/b6-5+
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n/an/a 4.20E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186767
PNG
(5-(6-Hydroxy-naphthalen-2-yl)-benzene-1,3-diol | 5...)
Show SMILES Oc1cc(O)cc(c1)-c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C16H12O3/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16(19)8-13/h1-9,17-19H
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n/an/a 5.30E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186749
PNG
(CHEMBL207941 | [1,1';3',1'']-terphenyl-4,3'',5''-t...)
Show SMILES Oc1ccc(cc1)-c1cccc(c1)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C18H14O3/c19-16-6-4-12(5-7-16)13-2-1-3-14(8-13)15-9-17(20)11-18(21)10-15/h1-11,19-21H
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n/an/a 5.80E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 6.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186766
PNG
(2-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-phenol | CH...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccccc2O)c1
Show InChI InChI=1S/C16H16O3/c1-18-14-9-12(10-15(11-14)19-2)7-8-13-5-3-4-6-16(13)17/h3-11,17H,1-2H3/b8-7+
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n/an/a 6.80E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186751
PNG
(4-chloro-2-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-ph...)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(Cl)ccc2O)c1
Show InChI InChI=1S/C16H15ClO3/c1-19-14-7-11(8-15(10-14)20-2)3-4-12-9-13(17)5-6-16(12)18/h3-10,18H,1-2H3/b4-3+
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n/an/a 7.30E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186761
PNG
(4,3'',5''-trimethoxy-[1,1';3',1'']-terphenyl | CHE...)
Show SMILES COc1ccc(cc1)-c1cccc(c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C21H20O3/c1-22-19-9-7-15(8-10-19)16-5-4-6-17(11-16)18-12-20(23-2)14-21(13-18)24-3/h4-14H,1-3H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186759
PNG
(3-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol | CH...)
Show SMILES COc1cc(OC)cc(\C=C\c2cccc(O)c2)c1
Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)7-6-12-4-3-5-14(17)8-12/h3-11,17H,1-2H3/b7-6+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186754
PNG
(2,6-di-tert-butyl-4-[(E)-2-(3,5-dimethoxy-phenyl)-...)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c1
Show InChI InChI=1S/C24H32O3/c1-23(2,3)20-13-17(14-21(22(20)25)24(4,5)6)10-9-16-11-18(26-7)15-19(12-16)27-8/h9-15,25H,1-8H3/b10-9+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186760
PNG
(4-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-2,6-dimetho...)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)c(O)c(OC)c2)c1
Show InChI InChI=1S/C18H20O5/c1-20-14-7-12(8-15(11-14)21-2)5-6-13-9-16(22-3)18(19)17(10-13)23-4/h5-11,19H,1-4H3/b6-5+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186752
PNG
(4,3'',5''-trimethoxy-[1,1';4',1'']-terphenyl | CHE...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C21H20O3/c1-22-19-10-8-16(9-11-19)15-4-6-17(7-5-15)18-12-20(23-2)14-21(13-18)24-3/h4-14H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186752
PNG
(4,3'',5''-trimethoxy-[1,1';4',1'']-terphenyl | CHE...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C21H20O3/c1-22-19-10-8-16(9-11-19)15-4-6-17(7-5-15)18-12-20(23-2)14-21(13-18)24-3/h4-14H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186754
PNG
(2,6-di-tert-butyl-4-[(E)-2-(3,5-dimethoxy-phenyl)-...)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c1
Show InChI InChI=1S/C24H32O3/c1-23(2,3)20-13-17(14-21(22(20)25)24(4,5)6)10-9-16-11-18(26-7)15-19(12-16)27-8/h9-15,25H,1-8H3/b10-9+
PDB

UniProtKB/SwissProt

B.MOAD
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UniChem

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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50186753
PNG
(2-(3,5-Dimethoxy-phenyl)-6-methoxy-naphthalene | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C19H18O3/c1-20-17-7-6-13-8-14(4-5-15(13)9-17)16-10-18(21-2)12-19(11-16)22-3/h4-12H,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem

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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against MDR human HL60R cell line

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50186753
PNG
(2-(3,5-Dimethoxy-phenyl)-6-methoxy-naphthalene | C...)
Show SMILES COc1ccc2cc(ccc2c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C19H18O3/c1-20-17-7-6-13-8-14(4-5-15(13)9-17)16-10-18(21-2)12-19(11-16)22-3/h4-12H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Antiproliferative activity against human K562 cell line expressing Bcr-Abl

J Med Chem 49: 3012-8 (2006)


Article DOI: 10.1021/jm060253o
BindingDB Entry DOI: 10.7270/Q2R49RKZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%