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PubMed code 28291344

Compile data set for download or QSAR
Found 56 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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237049
PNG
(CHEMBL3133904)
Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1F
Show InChI InChI=1S/C18H15FN4O/c1-3-16(24)22-12-7-8-14-13(9-12)18(21-10-20-14)23-15-6-4-5-11(2)17(15)19/h3-10H,1H2,2H3,(H,22,24)(H,20,21,23)
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n/an/a 1.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237048
PNG
(CHEMBL3132872)
Show SMILES Fc1cc(Br)ccc1Nc1ncnc2ccc(NC(=O)C=C)cc12
Show InChI InChI=1S/C17H12BrFN4O/c1-2-16(24)22-11-4-6-14-12(8-11)17(21-9-20-14)23-15-5-3-10(18)7-13(15)19/h2-9H,1H2,(H,22,24)(H,20,21,23)
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n/an/a 2.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237123
PNG
(CHEMBL4097369)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)c4ccco4)cc23)c1
Show InChI InChI=1S/C19H13BrN4O2/c20-12-3-1-4-13(9-12)23-18-15-10-14(6-7-16(15)21-11-22-18)24-19(25)17-5-2-8-26-17/h1-11H,(H,24,25)(H,21,22,23)
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n/an/a 8.40n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237111
PNG
(CHEMBL4103464)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)NCc4ccccc4)cc23)c1
Show InChI InChI=1S/C22H18BrN5O/c23-16-7-4-8-17(11-16)27-21-19-12-18(9-10-20(19)25-14-26-21)28-22(29)24-13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,24,28,29)(H,25,26,27)
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n/an/a 8.90n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237097
PNG
(CHEMBL4075530)
Show SMILES Oc1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show InChI InChI=1S/C21H16BrN5OS/c22-13-2-1-3-15(10-13)25-20-18-11-16(6-9-19(18)23-12-24-20)27-21(29)26-14-4-7-17(28)8-5-14/h1-12,28H,(H,23,24,25)(H2,26,27,29)
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n/an/a 8.90n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237186
PNG
(CHEMBL4092951)
Show SMILES CNC(=S)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C16H14BrN5S/c1-18-16(23)22-12-5-6-14-13(8-12)15(20-9-19-14)21-11-4-2-3-10(17)7-11/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)
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n/an/a 9.10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
In vitro inhibition of human Dipeptidylpeptidase IV.


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237098
PNG
(CHEMBL4075103)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show InChI InChI=1S/C21H17BrN6O2S2/c22-13-2-1-3-15(10-13)26-20-18-11-16(6-9-19(18)24-12-25-20)28-21(31)27-14-4-7-17(8-5-14)32(23,29)30/h1-12H,(H2,23,29,30)(H,24,25,26)(H2,27,28,31)
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n/an/a 9.5n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237108
PNG
(CHEMBL4065288)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)Nc4cccnc4)cc23)c1
Show InChI InChI=1S/C20H15BrN6S/c21-13-3-1-4-14(9-13)25-19-17-10-15(6-7-18(17)23-12-24-19)26-20(28)27-16-5-2-8-22-11-16/h1-12H,(H,23,24,25)(H2,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50179494
PNG
(CHEMBL3815163)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)c1
Show InChI InChI=1S/C21H23BrN6OS/c22-15-2-1-3-16(12-15)26-20-18-13-17(4-5-19(18)24-14-25-20)27-21(30)23-6-7-28-8-10-29-11-9-28/h1-5,12-14H,6-11H2,(H2,23,27,30)(H,24,25,26)
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n/an/a 11n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase II.


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237124
PNG
(CHEMBL4091921)
Show SMILES Clc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1
Show InChI InChI=1S/C22H18ClN5S/c23-16-7-4-8-17(11-16)27-21-19-12-18(9-10-20(19)25-14-26-21)28-22(29)24-13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,24,28,29)(H,25,26,27)
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n/an/a 11n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237063
PNG
(CHEMBL4102455)
Show SMILES Clc1ccccc1NC(=S)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C21H15BrClN5S/c22-13-4-3-5-14(10-13)26-20-16-11-15(8-9-18(16)24-12-25-20)27-21(29)28-19-7-2-1-6-17(19)23/h1-12H,(H,24,25,26)(H2,27,28,29)
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n/an/a 16n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237062
PNG
(CHEMBL4076434)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)Nc4ccccc4)cc23)c1
Show InChI InChI=1S/C21H16BrN5S/c22-14-5-4-8-16(11-14)25-20-18-12-17(9-10-19(18)23-13-24-20)27-21(28)26-15-6-2-1-3-7-15/h1-13H,(H,23,24,25)(H2,26,27,28)
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n/an/a 16n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237047
PNG
(CHEMBL4088718)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1
Show InChI InChI=1S/C22H18BrN5S/c23-16-7-4-8-17(11-16)27-21-19-12-18(9-10-20(19)25-14-26-21)28-22(29)24-13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,24,28,29)(H,25,26,27)
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n/an/a 17n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit muscle glyceraldehyde-3-phosphate dehydrogenase (GAPDH)


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM138364
PNG
(US8877795, 12)
Show SMILES FC(F)(F)c1cccc(\C=C2/SC(=O)NC2=O)c1
Show InChI InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-
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n/an/a 17n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His-tagged PIM-1 expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237112
PNG
(CHEMBL4089588)
Show SMILES Clc1ccc(NC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show InChI InChI=1S/C21H15BrClN5O/c22-13-2-1-3-16(10-13)26-20-18-11-17(8-9-19(18)24-12-25-20)28-21(29)27-15-6-4-14(23)5-7-15/h1-12H,(H,24,25,26)(H2,27,28,29)
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n/an/a 19n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237096
PNG
(CHEMBL4097862)
Show SMILES Clc1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show InChI InChI=1S/C21H15BrClN5S/c22-13-2-1-3-16(10-13)26-20-18-11-17(8-9-19(18)24-12-25-20)28-21(29)27-15-6-4-14(23)5-7-15/h1-12H,(H,24,25,26)(H2,27,28,29)
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n/an/a 20n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237117
PNG
(CHEMBL4078182)
Show SMILES Clc1cccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c1
Show InChI InChI=1S/C21H15BrClN5S/c22-13-3-1-5-15(9-13)26-20-18-11-17(7-8-19(18)24-12-25-20)28-21(29)27-16-6-2-4-14(23)10-16/h1-12H,(H,24,25,26)(H2,27,28,29)
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n/an/a 21n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using KHKKLAEGSA...


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237121
PNG
(CHEMBL4101774)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)Nc4ccc(cc4)S(=O)(=O)Nc4nccs4)cc23)c1
Show InChI InChI=1S/C24H18BrN7O2S3/c25-15-2-1-3-17(12-15)29-22-20-13-18(6-9-21(20)27-14-28-22)31-23(35)30-16-4-7-19(8-5-16)37(33,34)32-24-26-10-11-36-24/h1-14H,(H,26,32)(H,27,28,29)(H2,30,31,35)
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n/an/a 22n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237099
PNG
(CHEMBL4066504)
Show SMILES Fc1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1Cl
Show InChI InChI=1S/C21H14BrClFN5S/c22-12-2-1-3-13(8-12)27-20-16-9-14(5-7-19(16)25-11-26-20)28-21(30)29-15-4-6-18(24)17(23)10-15/h1-11H,(H,25,26,27)(H2,28,29,30)
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n/an/a 25n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237110
PNG
(CHEMBL4062528)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)N4CCOCC4)cc23)c1
Show InChI InChI=1S/C19H18BrN5OS/c20-13-2-1-3-14(10-13)23-18-16-11-15(4-5-17(16)21-12-22-18)24-19(27)25-6-8-26-9-7-25/h1-5,10-12H,6-9H2,(H,24,27)(H,21,22,23)
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n/an/a 27n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237109
PNG
(CHEMBL4071170)
Show SMILES Clc1ccc(CNC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show InChI InChI=1S/C22H17BrClN5S/c23-15-2-1-3-17(10-15)28-21-19-11-18(8-9-20(19)26-13-27-21)29-22(30)25-12-14-4-6-16(24)7-5-14/h1-11,13H,12H2,(H2,25,29,30)(H,26,27,28)
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n/an/a 28n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237188
PNG
(CHEMBL4088760)
Show SMILES Brc1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show InChI InChI=1S/C21H15Br2N5S/c22-13-4-6-15(7-5-13)27-21(29)28-17-8-9-19-18(11-17)20(25-12-24-19)26-16-3-1-2-14(23)10-16/h1-12H,(H,24,25,26)(H2,27,28,29)
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n/an/a 35n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using KHKKLAEGSA...


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237052
PNG
(CHEMBL4072769)
Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1
Show InChI InChI=1S/C23H21N5S/c1-16-6-5-9-18(12-16)27-22-20-13-19(10-11-21(20)25-15-26-22)28-23(29)24-14-17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H2,24,28,29)(H,25,26,27)
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n/an/a 37n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237117
PNG
(CHEMBL4078182)
Show SMILES Clc1cccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c1
Show InChI InChI=1S/C21H15BrClN5S/c22-13-3-1-5-15(9-13)26-20-18-11-17(7-8-19(18)24-12-25-20)28-21(29)27-16-6-2-4-14(23)10-16/h1-12H,(H,24,25,26)(H2,27,28,29)
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n/an/a 41n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237105
PNG
(CHEMBL4067514)
Show SMILES Clc1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c(Cl)c1
Show InChI InChI=1S/C21H14BrCl2N5S/c22-12-2-1-3-14(8-12)27-20-16-10-15(5-7-18(16)25-11-26-20)28-21(30)29-19-6-4-13(23)9-17(19)24/h1-11H,(H,25,26,27)(H2,28,29,30)
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n/an/a 49n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237113
PNG
(CHEMBL4092966)
Show SMILES Clc1cccc(Nc2ncnc3ccc(NC(=S)Nc4cncc(Cl)c4)cc23)c1
Show InChI InChI=1S/C20H14Cl2N6S/c21-12-2-1-3-14(6-12)26-19-17-8-15(4-5-18(17)24-11-25-19)27-20(29)28-16-7-13(22)9-23-10-16/h1-11H,(H,24,25,26)(H2,27,28,29)
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n/an/a 56n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237187
PNG
(CHEMBL4065300)
Show SMILES Fc1cc(F)cc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1
Show InChI InChI=1S/C21H14ClF2N5S/c22-12-2-1-3-15(6-12)27-20-18-10-16(4-5-19(18)25-11-26-20)28-21(30)29-17-8-13(23)7-14(24)9-17/h1-11H,(H,25,26,27)(H2,28,29,30)
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n/an/a 60n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using KHKKLAEGSA...


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237102
PNG
(CHEMBL4085352)
Show SMILES FC(F)(F)c1cccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c1
Show InChI InChI=1S/C22H15BrF3N5S/c23-14-4-2-6-16(10-14)29-20-18-11-17(7-8-19(18)27-12-28-20)31-21(32)30-15-5-1-3-13(9-15)22(24,25)26/h1-12H,(H,27,28,29)(H2,30,31,32)
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n/an/a 61n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237058
PNG
(CHEMBL4080711)
Show SMILES Oc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1
Show InChI InChI=1S/C22H19N5OS/c28-18-8-4-7-16(11-18)26-21-19-12-17(9-10-20(19)24-14-25-21)27-22(29)23-13-15-5-2-1-3-6-15/h1-12,14,28H,13H2,(H2,23,27,29)(H,24,25,26)
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n/an/a 64n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237122
PNG
(CHEMBL4093114)
Show SMILES Fc1c(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cccc1C(F)(F)F
Show InChI InChI=1S/C22H14BrF4N5S/c23-12-3-1-4-13(9-12)30-20-15-10-14(7-8-17(15)28-11-29-20)31-21(33)32-18-6-2-5-16(19(18)24)22(25,26)27/h1-11H,(H,28,29,30)(H2,31,32,33)
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n/an/a 112n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237115
PNG
(CHEMBL4072986)
Show SMILES Clc1cnc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)s1
Show InChI InChI=1S/C18H12Cl2N6S2/c19-10-2-1-3-11(6-10)24-16-13-7-12(4-5-14(13)22-9-23-16)25-17(27)26-18-21-8-15(20)28-18/h1-9H,(H,22,23,24)(H2,21,25,26,27)
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n/an/a 120n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237189
PNG
(CHEMBL4065503)
Show SMILES Cc1nnc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)s1
Show InChI InChI=1S/C18H14ClN7S2/c1-10-25-26-18(28-10)24-17(27)23-13-5-6-15-14(8-13)16(21-9-20-15)22-12-4-2-3-11(19)7-12/h2-9H,1H3,(H,20,21,22)(H2,23,24,26,27)
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n/an/a 120n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged EGFR (668 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using KHKKLAEGSA...


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237116
PNG
(CHEMBL4077608)
Show SMILES FC(F)(F)c1nnc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)s1
Show InChI InChI=1S/C18H11ClF3N7S2/c19-9-2-1-3-10(6-9)25-14-12-7-11(4-5-13(12)23-8-24-14)26-16(30)27-17-29-28-15(31-17)18(20,21)22/h1-8H,(H,23,24,25)(H2,26,27,29,30)
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n/an/a 130n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237106
PNG
(CHEMBL4072928)
Show SMILES Clc1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1Cl
Show InChI InChI=1S/C21H14BrCl2N5S/c22-12-2-1-3-13(8-12)27-20-16-9-14(5-7-19(16)25-11-26-20)28-21(30)29-15-4-6-17(23)18(24)10-15/h1-11H,(H,25,26,27)(H2,28,29,30)
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n/an/a 133n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237114
PNG
(CHEMBL4073912)
Show SMILES FC(F)(F)c1csc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)n1
Show InChI InChI=1S/C19H12ClF3N6S2/c20-10-2-1-3-11(6-10)26-16-13-7-12(4-5-14(13)24-9-25-16)27-17(30)29-18-28-15(8-31-18)19(21,22)23/h1-9H,(H,24,25,26)(H2,27,28,29,30)
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n/an/a 137n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237107
PNG
(CHEMBL4077419)
Show SMILES Clc1cc(Cl)cc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c1
Show InChI InChI=1S/C21H14BrCl2N5S/c22-12-2-1-3-15(6-12)27-20-18-10-16(4-5-19(18)25-11-26-20)28-21(30)29-17-8-13(23)7-14(24)9-17/h1-11H,(H,25,26,27)(H2,28,29,30)
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n/an/a 146n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237103
PNG
(CHEMBL4063757)
Show SMILES FC(F)(F)c1cc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C23H14BrF6N5S/c24-14-2-1-3-15(9-14)33-20-18-10-16(4-5-19(18)31-11-32-20)34-21(36)35-17-7-12(22(25,26)27)6-13(8-17)23(28,29)30/h1-11H,(H,31,32,33)(H2,34,35,36)
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n/an/a>150n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237100
PNG
(CHEMBL4094040)
Show SMILES FC(F)(F)c1cc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)ccc1Cl
Show InChI InChI=1S/C22H14BrClF3N5S/c23-12-2-1-3-13(8-12)30-20-16-9-14(5-7-19(16)28-11-29-20)31-21(33)32-15-4-6-18(24)17(10-15)22(25,26)27/h1-11H,(H,28,29,30)(H2,31,32,33)
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n/an/a>150n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237054
PNG
(CHEMBL4097454)
Show SMILES CCc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1
Show InChI InChI=1S/C24H23N5S/c1-2-17-9-6-10-19(13-17)28-23-21-14-20(11-12-22(21)26-16-27-23)29-24(30)25-15-18-7-4-3-5-8-18/h3-14,16H,2,15H2,1H3,(H2,25,29,30)(H,26,27,28)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237050
PNG
(CHEMBL4071935)
Show SMILES Brc1ccccc1Nc1ncnc2ccc(NC(=S)NCc3ccccc3)cc12
Show InChI InChI=1S/C22H18BrN5S/c23-18-8-4-5-9-20(18)28-21-17-12-16(10-11-19(17)25-14-26-21)27-22(29)24-13-15-6-2-1-3-7-15/h1-12,14H,13H2,(H2,24,27,29)(H,25,26,28)
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n/an/a>150n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibitory activity against human Matrix metalloprotease-1


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237119
PNG
(CHEMBL4079151)
Show SMILES Oc1ccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)cc1
Show InChI InChI=1S/C22H19N5OS/c28-18-9-6-16(7-10-18)26-21-19-12-17(8-11-20(19)24-14-25-21)27-22(29)23-13-15-4-2-1-3-5-15/h1-12,14,28H,13H2,(H2,23,27,29)(H,24,25,26)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237061
PNG
(CHEMBL4094706)
Show SMILES S=C(NCc1ccccc1)Nc1ccc2ncnc(Nc3cccnc3)c2c1
Show InChI InChI=1S/C21H18N6S/c28-21(23-12-15-5-2-1-3-6-15)27-16-8-9-19-18(11-16)20(25-14-24-19)26-17-7-4-10-22-13-17/h1-11,13-14H,12H2,(H2,23,27,28)(H,24,25,26)
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n/an/a>150n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237059
PNG
(CHEMBL4096625)
Show SMILES NS(=O)(=O)c1ccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)cc1
Show InChI InChI=1S/C22H20N6O2S2/c23-32(29,30)18-9-6-16(7-10-18)27-21-19-12-17(8-11-20(19)25-14-26-21)28-22(31)24-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H2,23,29,30)(H2,24,28,31)(H,25,26,27)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237055
PNG
(CHEMBL4061372)
Show SMILES CC(C)c1ccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)cc1
Show InChI InChI=1S/C25H25N5S/c1-17(2)19-8-10-20(11-9-19)29-24-22-14-21(12-13-23(22)27-16-28-24)30-25(31)26-15-18-6-4-3-5-7-18/h3-14,16-17H,15H2,1-2H3,(H2,26,30,31)(H,27,28,29)
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n/an/a>150n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237118
PNG
(CHEMBL4101828)
Show SMILES CC(C)(C)c1ccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)cc1
Show InChI InChI=1S/C26H27N5S/c1-26(2,3)19-9-11-20(12-10-19)30-24-22-15-21(13-14-23(22)28-17-29-24)31-25(32)27-16-18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H2,27,31,32)(H,28,29,30)
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n/an/a>150n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237053
PNG
(CHEMBL4099653)
Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1C
Show InChI InChI=1S/C24H23N5S/c1-16-7-6-10-21(17(16)2)29-23-20-13-19(11-12-22(20)26-15-27-23)28-24(30)25-14-18-8-4-3-5-9-18/h3-13,15H,14H2,1-2H3,(H2,25,28,30)(H,26,27,29)
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n/an/a>150n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibitory activity against human Matrix metalloprotease-13


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237101
PNG
(CHEMBL4072348)
Show SMILES FC(F)(F)c1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show InChI InChI=1S/C22H15BrF3N5S/c23-14-2-1-3-16(10-14)29-20-18-11-17(8-9-19(18)27-12-28-20)31-21(32)30-15-6-4-13(5-7-15)22(24,25)26/h1-12H,(H,27,28,29)(H2,30,31,32)
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n/an/a>150n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237056
PNG
(CHEMBL4070047)
Show SMILES S=C(NCc1ccccc1)Nc1ccc2ncnc(Nc3ccc(cc3)-c3ccccc3)c2c1
Show InChI InChI=1S/C28H23N5S/c34-28(29-18-20-7-3-1-4-8-20)33-24-15-16-26-25(17-24)27(31-19-30-26)32-23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-17,19H,18H2,(H2,29,33,34)(H,30,31,32)
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n/an/a>150n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237051
PNG
(CHEMBL4064174)
Show SMILES Brc1ccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)cc1
Show InChI InChI=1S/C22H18BrN5S/c23-16-6-8-17(9-7-16)27-21-19-12-18(10-11-20(19)25-14-26-21)28-22(29)24-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H2,24,28,29)(H,25,26,27)
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n/an/a>150n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237120
PNG
(CHEMBL4104875)
Show SMILES O=S(=O)(Nc1ccccn1)c1ccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)cc1
Show InChI InChI=1S/C27H23N7O2S2/c35-38(36,34-25-8-4-5-15-28-25)22-12-9-20(10-13-22)32-26-23-16-21(11-14-24(23)30-18-31-26)33-27(37)29-17-19-6-2-1-3-7-19/h1-16,18H,17H2,(H,28,34)(H2,29,33,37)(H,30,31,32)
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n/an/a>150n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237060
PNG
(CHEMBL4087010)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)cc1
Show InChI InChI=1S/C23H22N8O2S2/c24-22(25)31-35(32,33)18-9-6-16(7-10-18)29-21-19-12-17(8-11-20(19)27-14-28-21)30-23(34)26-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H4,24,25,31)(H2,26,30,34)(H,27,28,29)
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n/an/a>150n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50237057
PNG
(CHEMBL4098758)
Show SMILES S=C(NCc1ccccc1)Nc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C28H23N5OS/c35-28(29-18-20-7-3-1-4-8-20)33-22-13-16-26-25(17-22)27(31-19-30-26)32-21-11-14-24(15-12-21)34-23-9-5-2-6-10-23/h1-17,19H,18H2,(H2,29,33,35)(H,30,31,32)
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Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasmic domain expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50237117
PNG
(CHEMBL4078182)
Show SMILES Clc1cccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c1
Show InChI InChI=1S/C21H15BrClN5S/c22-13-3-1-5-15(9-13)26-20-18-11-17(7-8-19(18)24-12-25-20)28-21(29)27-16-6-2-4-14(23)10-16/h1-12H,(H,24,25,26)(H2,27,28,29)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His-tagged PIM-1 expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50237117
PNG
(CHEMBL4078182)
Show SMILES Clc1cccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)c1
Show InChI InChI=1S/C21H15BrClN5S/c22-13-3-1-5-15(9-13)26-20-18-11-17(7-8-19(18)24-12-25-20)28-21(29)27-16-6-2-4-14(23)10-16/h1-12H,(H,24,25,26)(H2,27,28,29)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged MNK2 expressed in baculovirus expression system


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM50237047
PNG
(CHEMBL4088718)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1
Show InChI InChI=1S/C22H18BrN5S/c23-16-7-4-8-17(11-16)27-21-19-12-18(9-10-20(19)25-14-26-21)28-22(29)24-13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,24,28,29)(H,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of TNFalpha-stimulated RIPK2 in human U937 cells in presence of 5 uM ATP


J Med Chem 60: 2853-2868 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%