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PubMed code 24565969

Compile data set for download or QSAR
Found 69 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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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n/an/a 0.900n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322823
PNG
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007787
PNG
(CHEMBL3233795)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CCC5(CC4)OCCO5)cc23)cc1Cl
Show InChI InChI=1S/C23H23ClFN5O3S/c24-17-12-15(3-4-18(17)25)28-21-16-13-20(34-22(16)27-14-26-21)29-19(31)2-1-7-30-8-5-23(6-9-30)32-10-11-33-23/h1-4,12-14H,5-11H2,(H,29,31)(H,26,27,28)/b2-1+
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n/an/a 2n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007769
PNG
(CHEMBL3233779)
Show SMILES COC(CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1)OC
Show InChI InChI=1S/C21H23ClFN5O3S/c1-28(11-19(30-2)31-3)8-4-5-17(29)27-18-10-14-20(24-12-25-21(14)32-18)26-13-6-7-16(23)15(22)9-13/h4-7,9-10,12,19H,8,11H2,1-3H3,(H,27,29)(H,24,25,26)/b5-4+
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n/an/a 2n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007763
PNG
(CHEMBL3233773)
Show SMILES CS(=O)(=O)CCNC\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C19H19ClFN5O3S2/c1-31(28,29)8-7-22-6-2-3-16(27)26-17-10-13-18(23-11-24-19(13)30-17)25-12-4-5-15(21)14(20)9-12/h2-5,9-11,22H,6-8H2,1H3,(H,26,27)(H,23,24,25)/b3-2+
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n/an/a 3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007783
PNG
(CHEMBL3233792)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C20H19ClFN5O2S/c21-15-10-13(3-4-16(15)22)25-19-14-11-18(30-20(14)24-12-23-19)26-17(28)2-1-5-27-6-8-29-9-7-27/h1-4,10-12H,5-9H2,(H,26,28)(H,23,24,25)/b2-1+
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n/an/a 3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007775
PNG
(CHEMBL3233786)
Show SMILES FC1CCN(C\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3s2)CC1
Show InChI InChI=1S/C21H20ClF2N5OS/c22-16-10-14(3-4-17(16)24)27-20-15-11-19(31-21(15)26-12-25-20)28-18(30)2-1-7-29-8-5-13(23)6-9-29/h1-4,10-13H,5-9H2,(H,28,30)(H,25,26,27)/b2-1+
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n/an/a 4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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n/an/a 4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant ErbB4 (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007776
PNG
(CHEMBL3233787)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CCC(F)(F)CC4)cc23)cc1Cl
Show InChI InChI=1S/C21H19ClF3N5OS/c22-15-10-13(3-4-16(15)23)28-19-14-11-18(32-20(14)27-12-26-19)29-17(31)2-1-7-30-8-5-21(24,25)6-9-30/h1-4,10-12H,5-9H2,(H,29,31)(H,26,27,28)/b2-1+
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n/an/a 7n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007785
PNG
(CHEMBL3233020)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5(COC5)C4)cc23)cc1Cl
Show InChI InChI=1S/C21H19ClFN5O2S/c22-15-6-13(3-4-16(15)23)26-19-14-7-18(31-20(14)25-12-24-19)27-17(29)2-1-5-28-8-21(9-28)10-30-11-21/h1-4,6-7,12H,5,8-11H2,(H,27,29)(H,24,25,26)/b2-1+
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n/an/a 7n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007766
PNG
(CHEMBL3233776)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CNCc4ncccn4)cc23)cc1Cl
Show InChI InChI=1S/C21H17ClFN7OS/c22-15-9-13(4-5-16(15)23)29-20-14-10-19(32-21(14)28-12-27-20)30-18(31)3-1-6-24-11-17-25-7-2-8-26-17/h1-5,7-10,12,24H,6,11H2,(H,30,31)(H,27,28,29)/b3-1+
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n/an/a 8n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007768
PNG
(CHEMBL3233778)
Show SMILES CCN(CC)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C20H21ClFN5OS/c1-3-27(4-2)9-5-6-17(28)26-18-11-14-19(23-12-24-20(14)29-18)25-13-7-8-16(22)15(21)10-13/h5-8,10-12H,3-4,9H2,1-2H3,(H,26,28)(H,23,24,25)/b6-5+
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n/an/a 8n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007774
PNG
(CHEMBL3233784)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C21H21ClFN5OS/c22-16-11-14(6-7-17(16)23)26-20-15-12-19(30-21(15)25-13-24-20)27-18(29)5-4-10-28-8-2-1-3-9-28/h4-7,11-13H,1-3,8-10H2,(H,27,29)(H,24,25,26)/b5-4+
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n/an/a 9n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007764
PNG
(CHEMBL3233774)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CNCC4COC4)cc23)cc1Cl
Show InChI InChI=1S/C20H19ClFN5O2S/c21-15-6-13(3-4-16(15)22)26-19-14-7-18(30-20(14)25-11-24-19)27-17(28)2-1-5-23-8-12-9-29-10-12/h1-4,6-7,11-12,23H,5,8-10H2,(H,27,28)(H,24,25,26)/b2-1+
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n/an/a 10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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n/an/a 16n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007777
PNG
(CHEMBL3233788)
Show SMILES CSC1CCN(C\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3s2)CC1
Show InChI InChI=1S/C22H23ClFN5OS2/c1-31-15-6-9-29(10-7-15)8-2-3-19(30)28-20-12-16-21(25-13-26-22(16)32-20)27-14-4-5-18(24)17(23)11-14/h2-5,11-13,15H,6-10H2,1H3,(H,28,30)(H,25,26,27)/b3-2+
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n/an/a 18n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007765
PNG
(CHEMBL3233775)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CNC4CCOCC4)cc23)cc1Cl
Show InChI InChI=1S/C21H21ClFN5O2S/c22-16-10-14(3-4-17(16)23)27-20-15-11-19(31-21(15)26-12-25-20)28-18(29)2-1-7-24-13-5-8-30-9-6-13/h1-4,10-13,24H,5-9H2,(H,28,29)(H,25,26,27)/b2-1+
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n/an/a 20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007767
PNG
(CHEMBL3233777)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C18H17ClFN5OS/c1-25(2)7-3-4-15(26)24-16-9-12-17(21-10-22-18(12)27-16)23-11-5-6-14(20)13(19)8-11/h3-6,8-10H,7H2,1-2H3,(H,24,26)(H,21,22,23)/b4-3+
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n/an/a 24n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007773
PNG
(CHEMBL3233783)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CCC(F)(F)C4)cc23)cc1Cl
Show InChI InChI=1S/C20H17ClF3N5OS/c21-14-8-12(3-4-15(14)22)27-18-13-9-17(31-19(13)26-11-25-18)28-16(30)2-1-6-29-7-5-20(23,24)10-29/h1-4,8-9,11H,5-7,10H2,(H,28,30)(H,25,26,27)/b2-1+
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n/an/a 28n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007784
PNG
(CHEMBL3233793)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CCS(=O)(=O)CC4)cc23)cc1Cl
Show InChI InChI=1S/C20H19ClFN5O3S2/c21-15-10-13(3-4-16(15)22)25-19-14-11-18(31-20(14)24-12-23-19)26-17(28)2-1-5-27-6-8-32(29,30)9-7-27/h1-4,10-12H,5-9H2,(H,26,28)(H,23,24,25)/b2-1+
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n/an/a 29n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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n/an/a 30n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007782
PNG
(CHEMBL3233791)
Show SMILES CC(C)N1CCN(C\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3s2)CC1
Show InChI InChI=1S/C23H26ClFN6OS/c1-15(2)31-10-8-30(9-11-31)7-3-4-20(32)29-21-13-17-22(26-14-27-23(17)33-21)28-16-5-6-19(25)18(24)12-16/h3-6,12-15H,7-11H2,1-2H3,(H,29,32)(H,26,27,28)/b4-3+
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n/an/a 34n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007781
PNG
(CHEMBL3233790)
Show SMILES CCN1CCN(C\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3s2)CC1
Show InChI InChI=1S/C22H24ClFN6OS/c1-2-29-8-10-30(11-9-29)7-3-4-19(31)28-20-13-16-21(25-14-26-22(16)32-20)27-15-5-6-18(24)17(23)12-15/h3-6,12-14H,2,7-11H2,1H3,(H,28,31)(H,25,26,27)/b4-3+
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n/an/a 35n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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n/an/a 37n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant ErbB4 (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007772
PNG
(CHEMBL3233782)
Show SMILES OC1CN(C\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3s2)C1
Show InChI InChI=1S/C19H17ClFN5O2S/c20-14-6-11(3-4-15(14)21)24-18-13-7-17(29-19(13)23-10-22-18)25-16(28)2-1-5-26-8-12(27)9-26/h1-4,6-7,10,12,27H,5,8-9H2,(H,25,28)(H,22,23,24)/b2-1+
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n/an/a 38n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007760
PNG
(CHEMBL3233770)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)CCl)cc23)cc1Cl
Show InChI InChI=1S/C14H9Cl2FN4OS/c15-5-11(22)21-12-4-8-13(18-6-19-14(8)23-12)20-7-1-2-10(17)9(16)3-7/h1-4,6H,5H2,(H,21,22)(H,18,19,20)
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n/an/a 40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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n/an/a 40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007771
PNG
(CHEMBL3233781)
Show SMILES CN(C)CCCN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C22H26ClFN6OS/c1-29(2)9-5-11-30(3)10-4-6-19(31)28-20-13-16-21(25-14-26-22(16)32-20)27-15-7-8-18(24)17(23)12-15/h4,6-8,12-14H,5,9-11H2,1-3H3,(H,28,31)(H,25,26,27)/b6-4+
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n/an/a 93n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007780
PNG
(CHEMBL3233789)
Show SMILES CN1CCN(C\C=C\C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3s2)CC1
Show InChI InChI=1S/C21H22ClFN6OS/c1-28-7-9-29(10-8-28)6-2-3-18(30)27-19-12-15-20(24-13-25-21(15)31-19)26-14-4-5-17(23)16(22)11-14/h2-5,11-13H,6-10H2,1H3,(H,27,30)(H,24,25,26)/b3-2+
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n/an/a 124n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007770
PNG
(CHEMBL3233780)
Show SMILES CCN(CC)CCN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C23H28ClFN6OS/c1-4-31(5-2)12-11-30(3)10-6-7-20(32)29-21-14-17-22(26-15-27-23(17)33-21)28-16-8-9-19(25)18(24)13-16/h6-9,13-15H,4-5,10-12H2,1-3H3,(H,29,32)(H,26,27,28)/b7-6+
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n/an/a 139n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007754
PNG
(CHEMBL3233764)
Show SMILES OCCC1CCN(CC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3s2)CC1
Show InChI InChI=1S/C21H23ClFN5O2S/c22-16-9-14(1-2-17(16)23)26-20-15-10-19(31-21(15)25-12-24-20)27-18(30)11-28-6-3-13(4-7-28)5-8-29/h1-2,9-10,12-13,29H,3-8,11H2,(H,27,30)(H,24,25,26)
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n/an/a 542n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007757
PNG
(CHEMBL3233766)
Show SMILES OCCN1CCN(CC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3s2)CC1
Show InChI InChI=1S/C20H22ClFN6O2S/c21-15-9-13(1-2-16(15)22)25-19-14-10-18(31-20(14)24-12-23-19)26-17(30)11-28-5-3-27(4-6-28)7-8-29/h1-2,9-10,12,29H,3-8,11H2,(H,26,30)(H,23,24,25)
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n/an/a 770n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007751
PNG
(CHEMBL3233761)
Show SMILES CN(C)CCCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C18H19ClFN5OS/c1-25(2)7-3-4-15(26)24-16-9-12-17(21-10-22-18(12)27-16)23-11-5-6-14(20)13(19)8-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,24,26)(H,21,22,23)
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n/an/a 799n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007761
PNG
(CHEMBL3233771)
Show SMILES COCCNC\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C19H19ClFN5O2S/c1-28-8-7-22-6-2-3-16(27)26-17-10-13-18(23-11-24-19(13)29-17)25-12-4-5-15(21)14(20)9-12/h2-5,9-11,22H,6-8H2,1H3,(H,26,27)(H,23,24,25)/b3-2+
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n/an/a 1.04E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007762
PNG
(CHEMBL3233772)
Show SMILES CN(C)CCCNC\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C21H24ClFN6OS/c1-29(2)10-4-9-24-8-3-5-18(30)28-19-12-15-20(25-13-26-21(15)31-19)27-14-6-7-17(23)16(22)11-14/h3,5-7,11-13,24H,4,8-10H2,1-2H3,(H,28,30)(H,25,26,27)/b5-3+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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n/an/a 1.63E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant RET (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007759
PNG
(CHEMBL3233769)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)OCC=C)cc23)cc1Cl
Show InChI InChI=1S/C16H12ClFN4O2S/c1-2-5-24-16(23)22-13-7-10-14(19-8-20-15(10)25-13)21-9-3-4-12(18)11(17)6-9/h2-4,6-8H,1,5H2,(H,22,23)(H,19,20,21)
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n/an/a 1.79E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007786
PNG
(CHEMBL3233794)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5(C4)CCOCC5)cc23)cc1Cl
Show InChI InChI=1S/C23H23ClFN5O2S/c24-17-10-15(3-4-18(17)25)28-21-16-11-20(33-22(16)27-14-26-21)29-19(31)2-1-7-30-12-23(13-30)5-8-32-9-6-23/h1-4,10-11,14H,5-9,12-13H2,(H,29,31)(H,26,27,28)/b2-1+
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n/an/a 2.16E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007756
PNG
(CHEMBL3233765)
Show SMILES CN1CCN(CC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3s2)CC1
Show InChI InChI=1S/C19H20ClFN6OS/c1-26-4-6-27(7-5-26)10-16(28)25-17-9-13-18(22-11-23-19(13)29-17)24-12-2-3-15(21)14(20)8-12/h2-3,8-9,11H,4-7,10H2,1H3,(H,25,28)(H,22,23,24)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007752
PNG
(CHEMBL3233762)
Show SMILES CN(C)CCN(C)CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C19H22ClFN6OS/c1-26(2)6-7-27(3)10-16(28)25-17-9-13-18(22-11-23-19(13)29-17)24-12-4-5-15(21)14(20)8-12/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,25,28)(H,22,23,24)
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n/an/a 4.29E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007749
PNG
(CHEMBL3233759)
Show SMILES COC(=O)CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C16H12ClFN4O3S/c1-25-14(24)6-12(23)22-13-5-9-15(19-7-20-16(9)26-13)21-8-2-3-11(18)10(17)4-8/h2-5,7H,6H2,1H3,(H,22,23)(H,19,20,21)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007753
PNG
(CHEMBL3233763)
Show SMILES CN(C)CCCN(C)CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C20H24ClFN6OS/c1-27(2)7-4-8-28(3)11-17(29)26-18-10-14-19(23-12-24-20(14)30-18)25-13-5-6-16(22)15(21)9-13/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,26,29)(H,23,24,25)
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n/an/a 5.22E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007758
PNG
(CHEMBL3233768)
Show SMILES C\C=C(/C)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C17H14ClFN4OS/c1-3-9(2)16(24)23-14-7-11-15(20-8-21-17(11)25-14)22-10-4-5-13(19)12(18)6-10/h3-8H,1-2H3,(H,23,24)(H,20,21,22)/b9-3+
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n/an/a 6.41E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007746
PNG
(CHEMBL3233756)
Show SMILES CCCCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C17H16ClFN4OS/c1-2-3-4-14(24)23-15-8-11-16(20-9-21-17(11)25-15)22-10-5-6-13(19)12(18)7-10/h5-9H,2-4H2,1H3,(H,23,24)(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant ABL (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDGFRbeta (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007750
PNG
(CHEMBL3233760)
Show SMILES COC(=O)CCCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C18H16ClFN4O3S/c1-27-16(26)4-2-3-14(25)24-15-8-11-17(21-9-22-18(11)28-15)23-10-5-6-13(20)12(19)7-10/h5-9H,2-4H2,1H3,(H,24,25)(H,21,22,23)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant ABL (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant EPHA2 (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant EPHA2 (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Flt-1 (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Kit (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDGFRbeta (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007748
PNG
(CHEMBL3233758)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C4CCCC4)cc23)cc1Cl
Show InChI InChI=1S/C18H16ClFN4OS/c19-13-7-11(5-6-14(13)20)23-16-12-8-15(26-18(12)22-9-21-16)24-17(25)10-3-1-2-4-10/h5-10H,1-4H2,(H,24,25)(H,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50007747
PNG
(CHEMBL3233757)
Show SMILES CCC(CC)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C18H18ClFN4OS/c1-3-10(4-2)17(25)24-15-8-12-16(21-9-22-18(12)26-15)23-11-5-6-14(20)13(19)7-11/h5-10H,3-4H2,1-2H3,(H,24,25)(H,21,22,23)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR domain (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 substrate after 60 mins by ELI...


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDGFRalpha (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Kit (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant RET (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant RON (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDGFRalpha (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50007745
PNG
(CHEMBL3233785)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)\C=C\CN4CC5CCC4C(=O)C5)cc23)cc1Cl
Show InChI InChI=1S/C23H21ClFN5O2S/c24-16-9-14(4-5-17(16)25)28-22-15-10-21(33-23(15)27-12-26-22)29-20(32)2-1-7-30-11-13-3-6-18(30)19(31)8-13/h1-2,4-5,9-10,12-13,18H,3,6-8,11H2,(H,29,32)(H,26,27,28)/b2-1+
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) expressed in baculovirus expression system using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Flt-1 (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50007744
PNG
(CHEMBL3233767)
Show SMILES Fc1ccc(Nc2ncnc3sc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C15H10ClFN4OS/c1-2-12(22)21-13-6-9-14(18-7-19-15(9)23-13)20-8-3-4-11(17)10(16)5-8/h2-7H,1H2,(H,21,22)(H,18,19,20)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant RON (unknown origin) using Poly(Glu:Tyr)4:1 after 60 mins by ELISA


Bioorg Med Chem 22: 2366-78 (2014)


Article DOI: 10.1016/j.bmc.2014.01.035
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%