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Compile Data Set for Download or QSAR

Found 58 hits from ChemBridge Research Laboratories and ChemBridge Corporation   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ALK tyrosine kinase receptor


(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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500n/an/an/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


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
ALK tyrosine kinase receptor


(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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1.10E+3n/an/an/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


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
Insulin receptor


(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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5.30E+3n/an/an/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IRK


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
Insulin receptor


(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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8.80E+3n/an/an/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IRK


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
Insulin receptor


(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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9.00E+3n/an/an/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IRK


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
ALK tyrosine kinase receptor


(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 400n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


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
ALK tyrosine kinase receptor


(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 700n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50181674
PNG
(6'-methoxy-6-oxo-1,6-dihydro-[3,3']bipyridinyl-5-c...)
Show SMILES COc1ccc(cn1)-c1c[nH]c(=O)c(c1)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C24H27N5O3/c1-28-9-11-29(12-10-28)16-17-3-6-20(7-4-17)27-24(31)21-13-19(15-26-23(21)30)18-5-8-22(32-2)25-14-18/h3-8,13-15H,9-12,16H2,1-2H3,(H,26,30)(H,27,31)
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n/an/a 3.00E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


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
Insulin receptor


(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 3.60E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IRK


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
ALK tyrosine kinase receptor/Nucleophosmin


(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 3.60E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against human NPM-ALK positive anaplastic large cell lymphoma karpas299 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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50181671
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES CN(C(=O)c1cc(c[nH]c1=O)-c1ccc2OCOc2c1)c1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C26H28N4O4/c1-28-9-11-30(12-10-28)16-18-3-6-21(7-4-18)29(2)26(32)22-13-20(15-27-25(22)31)19-5-8-23-24(14-19)34-17-33-23/h3-8,13-15H,9-12,16-17H2,1-2H3,(H,27,31)
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n/an/a 3.70E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50181679
PNG
(5-(2-methyl-benzothiazol-5-yl)-2-oxo-1,2-dihydro-p...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4sc(C)nc4c3)cc2)CC1
Show InChI InChI=1S/C26H27N5O2S/c1-17-28-23-14-19(5-8-24(23)34-17)20-13-22(25(32)27-15-20)26(33)29-21-6-3-18(4-7-21)16-31-11-9-30(2)10-12-31/h3-8,13-15H,9-12,16H2,1-2H3,(H,27,32)(H,29,33)
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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
Inhibitory activity against ALK


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
Tyrosine-protein kinase receptor FLT3


(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 4.00E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against Flt3


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
Tyrosine-protein kinase receptor FLT3


(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 5.00E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against Flt3


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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50181682
PNG
(2-oxo-5-quinoxalin-6-yl-1,2-dihydro-pyridine-3-car...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4nccnc4c3)cc2)CC1
Show InChI InChI=1S/C26H26N6O2/c1-31-10-12-32(13-11-31)17-18-2-5-21(6-3-18)30-26(34)22-14-20(16-29-25(22)33)19-4-7-23-24(15-19)28-9-8-27-23/h2-9,14-16H,10-13,17H2,1H3,(H,29,33)(H,30,34)
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n/an/a 5.50E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


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
ALK tyrosine kinase receptor/Nucleophosmin


(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 6.50E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against murine BaF3 cell line expressing NPM-ALK


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
Insulin receptor


(Homo sapiens (human))
BDBM50181682
PNG
(2-oxo-5-quinoxalin-6-yl-1,2-dihydro-pyridine-3-car...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4nccnc4c3)cc2)CC1
Show InChI InChI=1S/C26H26N6O2/c1-31-10-12-32(13-11-31)17-18-2-5-21(6-3-18)30-26(34)22-14-20(16-29-25(22)33)19-4-7-23-24(15-19)28-9-8-27-23/h2-9,14-16H,10-13,17H2,1H3,(H,29,33)(H,30,34)
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n/an/a 7.00E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IRK


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
Insulin-like growth factor I receptor


(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 7.00E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IGF1R


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
ALK tyrosine kinase receptor/Nucleophosmin


(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 7.50E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against human NPM-ALK positive anaplastic large cell lymphoma karpas299 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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50181673
PNG
(5-(3,4,5-trimethoxyphenyl)-2-oxo-1,2-dihydro-pyrid...)
Show SMILES COc1cc(cc(OC)c1OC)-c1c[nH]c(=O)c(c1)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C27H32N4O5/c1-30-9-11-31(12-10-30)17-18-5-7-21(8-6-18)29-27(33)22-13-20(16-28-26(22)32)19-14-23(34-2)25(36-4)24(15-19)35-3/h5-8,13-16H,9-12,17H2,1-4H3,(H,28,32)(H,29,33)
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n/an/a 7.50E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


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
ALK tyrosine kinase receptor/Nucleophosmin


(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 9.40E+3n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against human NPM-ALK positive anaplastic large cell lymphoma karpas299 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))
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
ALK tyrosine kinase receptor/Nucleophosmin


(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 1.12E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against human NPM-ALK positive anaplastic large cell lymphoma karpas299 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
ALK tyrosine kinase receptor/Nucleophosmin


(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 1.37E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against murine BaF3 cell line expressing NPM-ALK


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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50181683
PNG
(5-benzo[1,3]dioxol-5-yl-2-oxo-1,2-dihydro-pyridine...)
Show SMILES COc1cc(CN2CCN(C)CC2)ccc1NC(=O)c1cc(c[nH]c1=O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C26H28N4O5/c1-29-7-9-30(10-8-29)15-17-3-5-21(23(11-17)33-2)28-26(32)20-12-19(14-27-25(20)31)18-4-6-22-24(13-18)35-16-34-22/h3-6,11-14H,7-10,15-16H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a 1.38E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


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
Insulin receptor


(Homo sapiens (human))
BDBM50181674
PNG
(6'-methoxy-6-oxo-1,6-dihydro-[3,3']bipyridinyl-5-c...)
Show SMILES COc1ccc(cn1)-c1c[nH]c(=O)c(c1)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C24H27N5O3/c1-28-9-11-29(12-10-28)16-17-3-6-20(7-4-17)27-24(31)21-13-19(15-26-23(21)30)18-5-8-22(32-2)25-14-18/h3-8,13-15H,9-12,16H2,1-2H3,(H,26,30)(H,27,31)
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n/an/a 1.38E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IRK


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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50181676
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)c(C)c2)CC1
Show InChI InChI=1S/C26H28N4O4/c1-17-11-18(15-30-9-7-29(2)8-10-30)3-5-22(17)28-26(32)21-12-20(14-27-25(21)31)19-4-6-23-24(13-19)34-16-33-23/h3-6,11-14H,7-10,15-16H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a 1.45E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


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
Insulin-like growth factor I receptor


(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 1.50E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IGF1R


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
Insulin receptor


(Homo sapiens (human))
BDBM50181679
PNG
(5-(2-methyl-benzothiazol-5-yl)-2-oxo-1,2-dihydro-p...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4sc(C)nc4c3)cc2)CC1
Show InChI InChI=1S/C26H27N5O2S/c1-17-28-23-14-19(5-8-24(23)34-17)20-13-22(25(32)27-15-20)26(33)29-21-6-3-18(4-7-21)16-31-11-9-30(2)10-12-31/h3-8,13-15H,9-12,16H2,1-2H3,(H,27,32)(H,29,33)
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n/an/a 1.60E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IRK


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
ALK tyrosine kinase receptor/Nucleophosmin


(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 1.74E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against murine BaF3 cell line expressing NPM-ALK


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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50181680
PNG
(6-oxo-1,6-dihydro-[3,4']bipyridinyl-5-carboxylic a...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccncc3)cc2)CC1
Show InChI InChI=1S/C23H25N5O2/c1-27-10-12-28(13-11-27)16-17-2-4-20(5-3-17)26-23(30)21-14-19(15-25-22(21)29)18-6-8-24-9-7-18/h2-9,14-15H,10-13,16H2,1H3,(H,25,29)(H,26,30)
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n/an/a 1.95E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


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
Tyrosine-protein kinase receptor FLT3


(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>2.00E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against Flt3


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
Tyrosine-protein kinase ABL1


(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>2.00E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against Abl


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
VEGF-receptor 2 and tyrosine-protein kinase SRC


(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>2.00E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against Src


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
Tyrosine-protein kinase receptor FLT3


(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>2.00E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against Flt3


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
Insulin-like growth factor I receptor


(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>2.00E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IGF1R


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
Tyrosine-protein kinase ABL1


(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>2.00E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against Abl


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
Tyrosine-protein kinase ABL1


(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>2.00E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against Abl


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
VEGF-receptor 2 and tyrosine-protein kinase SRC


(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>2.00E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against Src


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
Tyrosine-protein kinase ABL1


(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>2.00E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against Abl


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
Insulin-like growth factor I receptor


(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>2.00E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IGF1R


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
VEGF-receptor 2 and tyrosine-protein kinase SRC


(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>2.00E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against Src


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
VEGF-receptor 2 and tyrosine-protein kinase SRC


(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>2.00E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against Src


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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50181677
PNG
(5-benzo[1,3]dioxol-5-yl-2-methoxy-N-[4-(4-methyl-p...)
Show SMILES COc1ncc(cc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C26H28N4O4/c1-29-9-11-30(12-10-29)16-18-3-6-21(7-4-18)28-25(31)22-13-20(15-27-26(22)32-2)19-5-8-23-24(14-19)34-17-33-23/h3-8,13-15H,9-12,16-17H2,1-2H3,(H,28,31)
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n/an/a 2.03E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


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
ALK tyrosine kinase receptor/Nucleophosmin


(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>2.50E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Antiproliferative activity against murine BaF3 cell line expressing NPM-ALK


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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50181678
PNG
(5-benzo[1,3]dioxol-5-yl-2-chloro-N-[4-(4-methyl-pi...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(cnc3Cl)-c3ccc4OCOc4c3)cc2)CC1
Show InChI InChI=1S/C25H25ClN4O3/c1-29-8-10-30(11-9-29)15-17-2-5-20(6-3-17)28-25(31)21-12-19(14-27-24(21)26)18-4-7-22-23(13-18)33-16-32-22/h2-7,12-14H,8-11,15-16H2,1H3,(H,28,31)
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n/an/a 2.68E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against ALK


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
Insulin receptor


(Homo sapiens (human))
BDBM50181678
PNG
(5-benzo[1,3]dioxol-5-yl-2-chloro-N-[4-(4-methyl-pi...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cc(cnc3Cl)-c3ccc4OCOc4c3)cc2)CC1
Show InChI InChI=1S/C25H25ClN4O3/c1-29-8-10-30(11-9-29)15-17-2-5-20(6-3-17)28-25(31)21-12-19(14-27-24(21)26)18-4-7-22-23(13-18)33-16-32-22/h2-7,12-14H,8-11,15-16H2,1H3,(H,28,31)
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n/an/a 2.73E+4n/an/an/an/an/an/a



ChemBridge Research Laboratories and ChemBridge Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against IRK


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
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