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PubMed code 20117004

Compile data set for download or QSAR
Found 68 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 160n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 170n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307129
PNG
(3-((4-(dimethylamino)naphthalen-1-yl)methylene)-4-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3cccc(C)c23)c2ccccc12
Show InChI InChI=1S/C22H20N2O/c1-14-7-6-10-19-21(14)18(22(25)23-19)13-15-11-12-20(24(2)3)17-9-5-4-8-16(15)17/h4-13H,1-3H3,(H,23,25)/b18-13-
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n/an/a 210n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307137
PNG
((3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methy...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(N)cc23)[nH]1
Show InChI InChI=1S/C15H15N3O/c1-8-5-9(2)17-14(8)7-12-11-6-10(16)3-4-13(11)18-15(12)19/h3-7,17H,16H2,1-2H3,(H,18,19)/b12-7-
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n/an/a 300n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 350n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50307129
PNG
(3-((4-(dimethylamino)naphthalen-1-yl)methylene)-4-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3cccc(C)c23)c2ccccc12
Show InChI InChI=1S/C22H20N2O/c1-14-7-6-10-19-21(14)18(22(25)23-19)13-15-11-12-20(24(2)3)17-9-5-4-8-16(15)17/h4-13H,1-3H3,(H,23,25)/b18-13-
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n/an/a 400n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM17035
PNG
((3Z)-5-amino-3-(1H-pyrrol-2-ylmethylidene)-2,3-dih...)
Show SMILES Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O/c14-8-3-4-12-10(6-8)11(13(17)16-12)7-9-2-1-5-15-9/h1-7,15H,14H2,(H,16,17)/b11-7-
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n/an/a 460n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 460n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 550n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307140
PNG
((Z)-3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-5-pyr...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(cc23)-c2cccnc2)[nH]1
Show InChI InChI=1S/C20H17N3O/c1-12-8-13(2)22-19(12)10-17-16-9-14(15-4-3-7-21-11-15)5-6-18(16)23-20(17)24/h3-11,22H,1-2H3,(H,23,24)/b17-10-
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n/an/a 580n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50307137
PNG
((3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methy...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(N)cc23)[nH]1
Show InChI InChI=1S/C15H15N3O/c1-8-5-9(2)17-14(8)7-12-11-6-10(16)3-4-13(11)18-15(12)19/h3-7,17H,16H2,1-2H3,(H,18,19)/b12-7-
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n/an/a 630n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a 760n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307127
PNG
((3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-I...)
Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
Show InChI InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-
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n/an/a 770n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307134
PNG
((E)-5-Amino-3-(4-diethylamino-benzylidene)-1,3-dih...)
Show SMILES CCN(CC)c1ccc(\C=C2\C(=O)Nc3ccc(N)cc23)cc1
Show InChI InChI=1S/C19H21N3O/c1-3-22(4-2)15-8-5-13(6-9-15)11-17-16-12-14(20)7-10-18(16)21-19(17)23/h5-12H,3-4,20H2,1-2H3,(H,21,23)/b17-11+
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50415432
PNG
(CHEMBL2062155 | SU-5614)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(Cl)cc23)[nH]1
Show InChI InChI=1S/C15H13ClN2O/c1-8-5-9(2)17-14(8)7-12-11-6-10(16)3-4-13(11)18-15(12)19/h3-7,17H,1-2H3,(H,18,19)/b12-7-
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50065306
PNG
(3-[4-(1-formylpiperazin-4-yl)benzylidenyl]-2-indol...)
Show SMILES O=CN1CCN(CC1)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C20H19N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,13-14H,9-12H2,(H,21,25)/b18-13-
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307141
PNG
((Z)-3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-5-fur...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(cc23)-c2occc2C)[nH]1
Show InChI InChI=1S/C20H18N2O2/c1-11-6-7-24-19(11)14-4-5-17-15(9-14)16(20(23)22-17)10-18-12(2)8-13(3)21-18/h4-10,21H,1-3H3,(H,22,23)/b16-10-
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ALK by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307146
PNG
((Z)-5-Bromo-3-(3,5-dimethyl-1H-pyrrol-2-ylmethylen...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(Br)cc23)[nH]1
Show InChI InChI=1S/C15H13BrN2O/c1-8-5-9(2)17-14(8)7-12-11-6-10(16)3-4-13(11)18-15(12)19/h3-7,17H,1-2H3,(H,18,19)/b12-7-
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307122
PNG
((Z)-4-bromo-3-((4,5,6,7-tetrahydro-1H-indol-2-yl)m...)
Show SMILES Brc1cccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c12
Show InChI InChI=1S/C17H15BrN2O/c18-13-5-3-7-15-16(13)12(17(21)20-15)9-11-8-10-4-1-2-6-14(10)19-11/h3,5,7-9,19H,1-2,4,6H2,(H,20,21)/b12-9-
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50131995
PNG
((E)-3-(4-hydroxybenzylidene)indolin-2-one | 3-(4-H...)
Show SMILES Oc1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H11NO2/c17-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9+
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307149
PNG
((Z)-3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-5-tri...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(OC(F)(F)F)cc23)[nH]1
Show InChI InChI=1S/C16H13F3N2O2/c1-8-5-9(2)20-14(8)7-12-11-6-10(23-16(17,18)19)3-4-13(11)21-15(12)22/h3-7,20H,1-2H3,(H,21,22)/b12-7-
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50307140
PNG
((Z)-3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-5-pyr...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(cc23)-c2cccnc2)[nH]1
Show InChI InChI=1S/C20H17N3O/c1-12-8-13(2)22-19(12)10-17-16-9-14(15-4-3-7-21-11-15)5-6-18(16)23-20(17)24/h3-11,22H,1-2H3,(H,23,24)/b17-10-
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ALK by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50131995
PNG
((E)-3-(4-hydroxybenzylidene)indolin-2-one | 3-(4-H...)
Show SMILES Oc1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H11NO2/c17-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9+
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM17035
PNG
((3Z)-5-amino-3-(1H-pyrrol-2-ylmethylidene)-2,3-dih...)
Show SMILES Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O/c14-8-3-4-12-10(6-8)11(13(17)16-12)7-9-2-1-5-15-9/h1-7,15H,14H2,(H,16,17)/b11-7-
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50065290
PNG
((Z)-4-(4-((4-methyl-2-oxoindolin-3-ylidene)methyl)...)
Show SMILES Cc1cccc2NC(=O)\C(=C/c3ccc(cc3)N3CCN(CC3)C=O)c12
Show InChI InChI=1S/C21H21N3O2/c1-15-3-2-4-19-20(15)18(21(26)22-19)13-16-5-7-17(8-6-16)24-11-9-23(14-25)10-12-24/h2-8,13-14H,9-12H2,1H3,(H,22,26)/b18-13-
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50307140
PNG
((Z)-3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-5-pyr...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(cc23)-c2cccnc2)[nH]1
Show InChI InChI=1S/C20H17N3O/c1-12-8-13(2)22-19(12)10-17-16-9-14(15-4-3-7-21-11-15)5-6-18(16)23-20(17)24/h3-11,22H,1-2H3,(H,23,24)/b17-10-
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ALK by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307148
PNG
((Z)3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-5-meth...)
Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]c(C)cc3C)c2c1
Show InChI InChI=1S/C16H16N2O2/c1-9-6-10(2)17-15(9)8-13-12-7-11(20-3)4-5-14(12)18-16(13)19/h4-8,17H,1-3H3,(H,18,19)/b13-8-
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50307137
PNG
((3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methy...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(N)cc23)[nH]1
Show InChI InChI=1S/C15H15N3O/c1-8-5-9(2)17-14(8)7-12-11-6-10(16)3-4-13(11)18-15(12)19/h3-7,17H,16H2,1-2H3,(H,18,19)/b12-7-
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ALK by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307136
PNG
((3Z)-5-AMINO-3-[(4-METHOXYPHENYL)METHYLIDENE]-1,3-...)
Show SMILES COc1ccc(\C=C2/C(=O)Nc3ccc(N)cc23)cc1
Show InChI InChI=1S/C16H14N2O2/c1-20-12-5-2-10(3-6-12)8-14-13-9-11(17)4-7-15(13)18-16(14)19/h2-9H,17H2,1H3,(H,18,19)/b14-8-
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ALK by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307147
PNG
((Z)-3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-7-met...)
Show SMILES COc1cccc2\C(=C\c3[nH]c(C)cc3C)C(=O)Nc12
Show InChI InChI=1S/C16H16N2O2/c1-9-7-10(2)17-13(9)8-12-11-5-4-6-14(20-3)15(11)18-16(12)19/h4-8,17H,1-3H3,(H,18,19)/b12-8-
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307131
PNG
((Z)-N-[3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-2-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc3NC(=O)\C(=C/c4[nH]c(C)cc4C)c3c2)CC1
Show InChI InChI=1S/C28H31N5O2/c1-18-14-19(2)29-26(18)16-24-23-15-22(8-9-25(23)31-28(24)35)30-27(34)21-6-4-20(5-7-21)17-33-12-10-32(3)11-13-33/h4-9,14-16,29H,10-13,17H2,1-3H3,(H,30,34)(H,31,35)/b24-16-
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307145
PNG
((Z)-3-(1H-Indol-3-ylmethylene)-5-nitro-1,3-dihydro...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C/c3c[nH]c4ccccc34)c2c1
Show InChI InChI=1S/C17H11N3O3/c21-17-14(7-10-9-18-15-4-2-1-3-12(10)15)13-8-11(20(22)23)5-6-16(13)19-17/h1-9,18H,(H,19,21)/b14-7-
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50065292
PNG
((Z)-3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-5-met...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(C)cc23)[nH]1
Show InChI InChI=1S/C16H16N2O/c1-9-4-5-14-12(6-9)13(16(19)18-14)8-15-10(2)7-11(3)17-15/h4-8,17H,1-3H3,(H,18,19)/b13-8-
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50307127
PNG
((3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-I...)
Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
Show InChI InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-
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n/an/a 8.70E+3n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ABL by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM17035
PNG
((3Z)-5-amino-3-(1H-pyrrol-2-ylmethylidene)-2,3-dih...)
Show SMILES Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O/c14-8-3-4-12-10(6-8)11(13(17)16-12)7-9-2-1-5-15-9/h1-7,15H,14H2,(H,16,17)/b11-7-
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ALK by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307139
PNG
((E)-3-[2,3']Bifuranyl-5-ylmethylene-5-nitro-1,3-di...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C\c3ccc(o3)-c3ccoc3)c2c1
Show InChI InChI=1S/C17H10N2O5/c20-17-14(13-7-11(19(21)22)1-3-15(13)18-17)8-12-2-4-16(24-12)10-5-6-23-9-10/h1-9H,(H,18,20)/b14-8+
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50307140
PNG
((Z)-3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-5-pyr...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(cc23)-c2cccnc2)[nH]1
Show InChI InChI=1S/C20H17N3O/c1-12-8-13(2)22-19(12)10-17-16-9-14(15-4-3-7-21-11-15)5-6-18(16)23-20(17)24/h3-11,22H,1-2H3,(H,23,24)/b17-10-
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ABL by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50307127
PNG
((3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-I...)
Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
Show InChI InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ALK by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ABL by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307142
PNG
((Z)-5-(1-Methyl-1H-pyrazol-4-yl)-3-(1H-pyrrol-2-yl...)
Show SMILES Cn1nccc1-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C17H14N4O/c1-21-16(6-8-19-21)11-4-5-15-13(9-11)14(17(22)20-15)10-12-3-2-7-18-12/h2-10,18H,1H3,(H,20,22)/b14-10-
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307144
PNG
((E)-3-(5-Bromo-furan-2-ylmethylene)-5-nitro-1,3-di...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C\c3ccc(Br)o3)c2c1
Show InChI InChI=1S/C13H7BrN2O4/c14-12-4-2-8(20-12)6-10-9-5-7(16(18)19)1-3-11(9)15-13(10)17/h1-6H,(H,15,17)/b10-6+
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307130
PNG
(3-(biphenyl-4-ylmethylene)-4-methylindolin-2-one |...)
Show SMILES Cc1cccc2NC(=O)\C(=C/c3ccc(cc3)-c3ccccc3)c12
Show InChI InChI=1S/C22H17NO/c1-15-6-5-9-20-21(15)19(22(24)23-20)14-16-10-12-18(13-11-16)17-7-3-2-4-8-17/h2-14H,1H3,(H,23,24)/b19-14-
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307132
PNG
((E)-5-Amino-3-[2,3']bifuranyl-5-ylmethylene-1,3-di...)
Show SMILES Nc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3ccoc3)c2c1
Show InChI InChI=1S/C17H12N2O3/c18-11-1-3-15-13(7-11)14(17(20)19-15)8-12-2-4-16(22-12)10-5-6-21-9-10/h1-9H,18H2,(H,19,20)/b14-8+
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307143
PNG
((Z)-5-Furan-2-yl-3-(1H-pyrrol-2-ylmethylene)-1,3-d...)
Show SMILES O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)-c1ccco1
Show InChI InChI=1S/C17H12N2O2/c20-17-14(10-12-3-1-7-18-12)13-9-11(5-6-15(13)19-17)16-4-2-8-21-16/h1-10,18H,(H,19,20)/b14-10-
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307123
PNG
(3-((4-(dimethylamino)naphthalen-1-yl)methylene)ind...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12
Show InChI InChI=1S/C21H18N2O/c1-23(2)20-12-11-14(15-7-3-4-9-17(15)20)13-18-16-8-5-6-10-19(16)22-21(18)24/h3-13H,1-2H3,(H,22,24)/b18-13-
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50307129
PNG
(3-((4-(dimethylamino)naphthalen-1-yl)methylene)-4-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3cccc(C)c23)c2ccccc12
Show InChI InChI=1S/C22H20N2O/c1-14-7-6-10-19-21(14)18(22(25)23-19)13-15-11-12-20(24(2)3)17-9-5-4-8-16(15)17/h4-13H,1-3H3,(H,23,25)/b18-13-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ALK by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM17035
PNG
((3Z)-5-amino-3-(1H-pyrrol-2-ylmethylidene)-2,3-dih...)
Show SMILES Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C13H11N3O/c14-8-3-4-12-10(6-8)11(13(17)16-12)7-9-2-1-5-15-9/h1-7,15H,14H2,(H,16,17)/b11-7-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ABL by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ABL by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50307127
PNG
((3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-I...)
Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
Show InChI InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ABL by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50307129
PNG
(3-((4-(dimethylamino)naphthalen-1-yl)methylene)-4-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3cccc(C)c23)c2ccccc12
Show InChI InChI=1S/C22H20N2O/c1-14-7-6-10-19-21(14)18(22(25)23-19)13-15-11-12-20(24(2)3)17-9-5-4-8-16(15)17/h4-13H,1-3H3,(H,23,25)/b18-13-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ABL by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ALK by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50131995
PNG
((E)-3-(4-hydroxybenzylidene)indolin-2-one | 3-(4-H...)
Show SMILES Oc1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H11NO2/c17-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9+
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ABL by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50307137
PNG
((3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methy...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(N)cc23)[nH]1
Show InChI InChI=1S/C15H15N3O/c1-8-5-9(2)17-14(8)7-12-11-6-10(16)3-4-13(11)18-15(12)19/h3-7,17H,16H2,1-2H3,(H,18,19)/b12-7-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ABL by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50131995
PNG
((E)-3-(4-hydroxybenzylidene)indolin-2-one | 3-(4-H...)
Show SMILES Oc1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H11NO2/c17-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ALK by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ABL by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307135
PNG
((E)-5-Amino-3-(4-methoxybenzylidene)indolin-2-one ...)
Show SMILES COc1ccc(\C=C2\C(=O)Nc3ccc(N)cc23)cc1
Show InChI InChI=1S/C16H14N2O2/c1-20-12-5-2-10(3-6-12)8-14-13-9-11(17)4-7-15(13)18-16(14)19/h2-9H,17H2,1H3,(H,18,19)/b14-8+
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n/an/a 6.30E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM17017
PNG
((3Z)-5-methyl-3-(1H-pyrrol-2-ylmethylidene)-2,3-di...)
Show SMILES Cc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C14H12N2O/c1-9-4-5-13-11(7-9)12(14(17)16-13)8-10-3-2-6-15-10/h2-8,15H,1H3,(H,16,17)/b12-8-
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n/an/a 6.60E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307133
PNG
((E)-5-Amino-3-(5-bromo-furan-2-ylmethylene)-1,3-di...)
Show SMILES Nc1ccc2NC(=O)\C(=C\c3ccc(Br)o3)c2c1
Show InChI InChI=1S/C13H9BrN2O2/c14-12-4-2-8(18-12)6-10-9-5-7(15)1-3-11(9)16-13(10)17/h1-6H,15H2,(H,16,17)/b10-6+
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n/an/a 6.60E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307138
PNG
((E)-5-Nitro-3-(5-thiophen-3-yl-furan-2-ylmethylene...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C\c3ccc(o3)-c3ccsc3)c2c1
Show InChI InChI=1S/C17H10N2O4S/c20-17-14(13-7-11(19(21)22)1-3-15(13)18-17)8-12-2-4-16(23-12)10-5-6-24-9-10/h1-9H,(H,18,20)/b14-8+
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n/an/a 7.80E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM17747
PNG
((3Z)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50065312
PNG
((Z)-4-methyl-3-(4-morpholinobenzylidene)indolin-2-...)
Show SMILES Cc1cccc2NC(=O)\C(=C/c3ccc(cc3)N3CCOCC3)c12
Show InChI InChI=1S/C20H20N2O2/c1-14-3-2-4-18-19(14)17(20(23)21-18)13-15-5-7-16(8-6-15)22-9-11-24-12-10-22/h2-8,13H,9-12H2,1H3,(H,21,23)/b17-13-
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%