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PubMed code 16516473

Compile Data Set for Download or QSAR

Found 444 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))
BDBM50183849
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C(C)C)[C@@H](C)C(N)=O
Show InChI InChI=1S/C22H25ClFN5O2/c1-12(2)29(13(3)21(25)30)10-14-8-15-18(9-19(14)31-4)26-11-27-22(15)28-17-7-5-6-16(23)20(17)24/h5-9,11-13H,10H2,1-4H3,(H2,25,30)(H,26,27,28)/t13-/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183856
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COCCN1CC(C1)(N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
Show InChI InChI=1S/C24H28ClFN6O3/c1-31(24(23(27)33)12-32(13-24)7-8-34-2)11-15-9-16-19(10-20(15)35-3)28-14-29-22(16)30-18-6-4-5-17(25)21(18)26/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H2,27,33)(H,28,29,30)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183837
PNG
((R)-1-((4-(3-chloro-4-fluorophenylamino)-7-methoxy...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-30-19-9-17-14(7-12(19)10-28-6-2-3-18(28)20(24)29)21(26-11-25-17)27-13-4-5-16(23)15(22)8-13/h4-5,7-9,11,18H,2-3,6,10H2,1H3,(H2,24,29)(H,25,26,27)/t18-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183864
PNG
((R)-1-((4-(3-chloro-2-fluorophenylamino)-7-methoxy...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC[C@@H]1C(N)=O
Show InChI InChI=1S/C22H23ClFN5O2/c1-31-19-10-17-14(9-13(19)11-29-8-3-2-7-18(29)21(25)30)22(27-12-26-17)28-16-6-4-5-15(23)20(16)24/h4-6,9-10,12,18H,2-3,7-8,11H2,1H3,(H2,25,30)(H,26,27,28)/t18-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183862
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](C)C(N)=O
Show InChI InChI=1S/C20H21ClFN5O2/c1-11(19(23)28)27(2)9-12-7-13-16(8-17(12)29-3)24-10-25-20(13)26-15-6-4-5-14(21)18(15)22/h4-8,10-11H,9H2,1-3H3,(H2,23,28)(H,24,25,26)/t11-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183835
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(N)=O
Show InChI InChI=1S/C20H21ClFN5O2/c1-11(19(23)28)27(2)9-12-7-13-16(8-17(12)29-3)24-10-25-20(13)26-15-6-4-5-14(21)18(15)22/h4-8,10-11H,9H2,1-3H3,(H2,23,28)(H,24,25,26)/t11-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183840
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C1)C(C)C)C(N)=O
Show InChI InChI=1S/C24H28ClFN6O2/c1-14(2)32-11-24(12-32,23(27)33)31(3)10-15-8-16-19(9-20(15)34-4)28-13-29-22(16)30-18-7-5-6-17(25)21(18)26/h5-9,13-14H,10-12H2,1-4H3,(H2,27,33)(H,28,29,30)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183858
PNG
(4-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(C)CC1)C(N)=O
Show InChI InChI=1S/C24H28ClFN6O2/c1-31-9-7-24(8-10-31,23(27)33)32(2)13-15-11-16-19(12-20(15)34-3)28-14-29-22(16)30-18-6-4-5-17(25)21(18)26/h4-6,11-12,14H,7-10,13H2,1-3H3,(H2,27,33)(H,28,29,30)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183838
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COCCN(Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)[C@@H](C)C(N)=O
Show InChI InChI=1S/C22H25ClFN5O3/c1-13(21(25)30)29(7-8-31-2)11-14-9-15-18(10-19(14)32-3)26-12-27-22(15)28-17-6-4-5-16(23)20(17)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H2,25,30)(H,26,27,28)/t13-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183853
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COCC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
Show InChI InChI=1S/C22H25ClFN5O3/c1-29(18(21(25)30)7-8-31-2)11-13-9-14-17(10-19(13)32-3)26-12-27-22(14)28-16-6-4-5-15(23)20(16)24/h4-6,9-10,12,18H,7-8,11H2,1-3H3,(H2,25,30)(H,26,27,28)/t18-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183857
PNG
((2R,4R)-1-((4-(3-chloro-2-fluorophenylamino)-7-met...)
Show SMILES CO[C@@H]1C[C@@H](N(Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1)C(N)=O
Show InChI InChI=1S/C22H23ClFN5O3/c1-31-13-7-18(21(25)30)29(10-13)9-12-6-14-17(8-19(12)32-2)26-11-27-22(14)28-16-5-3-4-15(23)20(16)24/h3-6,8,11,13,18H,7,9-10H2,1-2H3,(H2,25,30)(H,26,27,28)/t13-,18-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183850
PNG
((R)-1-((4-(3-chloro-2-fluorophenylamino)-7-methoxy...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-30-18-9-16-13(8-12(18)10-28-7-3-6-17(28)20(24)29)21(26-11-25-16)27-15-5-2-4-14(22)19(15)23/h2,4-5,8-9,11,17H,3,6-7,10H2,1H3,(H2,24,29)(H,25,26,27)/t17-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183847
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C)C1)C(N)=O
Show InChI InChI=1S/C22H24ClFN6O2/c1-29-10-22(11-29,21(25)31)30(2)9-13-7-14-17(8-18(13)32-3)26-12-27-20(14)28-16-6-4-5-15(23)19(16)24/h4-8,12H,9-11H2,1-3H3,(H2,25,31)(H,26,27,28)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Antiproliferative activity against EGF-stimulated human KB cell line


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183844
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CO)C(N)=O
Show InChI InChI=1S/C20H21ClFN5O3/c1-27(16(9-28)19(23)29)8-11-6-12-15(7-17(11)30-2)24-10-25-20(12)26-14-5-3-4-13(21)18(14)22/h3-7,10,16,28H,8-9H2,1-2H3,(H2,23,29)(H,24,25,26)/t16-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183847
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C)C1)C(N)=O
Show InChI InChI=1S/C22H24ClFN6O2/c1-29-10-22(11-29,21(25)31)30(2)9-13-7-14-17(8-18(13)32-3)26-12-27-20(14)28-16-6-4-5-15(23)19(16)24/h4-8,12H,9-11H2,1-3H3,(H2,25,31)(H,26,27,28)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183852
PNG
(2-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)CC(N)=O
Show InChI InChI=1S/C19H19ClFN5O2/c1-26(9-17(22)27)8-11-6-12-15(7-16(11)28-2)23-10-24-19(12)25-14-5-3-4-13(20)18(14)21/h3-7,10H,8-9H2,1-2H3,(H2,22,27)(H,23,24,25)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183863
PNG
((S)-1-((4-(3-chloro-4-fluorophenylamino)-7-methoxy...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-30-19-9-17-14(7-12(19)10-28-6-2-3-18(28)20(24)29)21(26-11-25-17)27-13-4-5-16(23)15(22)8-13/h4-5,7-9,11,18H,2-3,6,10H2,1H3,(H2,24,29)(H,25,26,27)/t18-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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n/an/a 20n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183862
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](C)C(N)=O
Show InChI InChI=1S/C20H21ClFN5O2/c1-11(19(23)28)27(2)9-12-7-13-16(8-17(12)29-3)24-10-25-20(13)26-15-6-4-5-14(21)18(15)22/h4-8,10-11H,9H2,1-3H3,(H2,23,28)(H,24,25,26)/t11-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183850
PNG
((R)-1-((4-(3-chloro-2-fluorophenylamino)-7-methoxy...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-30-18-9-16-13(8-12(18)10-28-7-3-6-17(28)20(24)29)21(26-11-25-16)27-15-5-2-4-14(22)19(15)23/h2,4-5,8-9,11,17H,3,6-7,10H2,1H3,(H2,24,29)(H,25,26,27)/t17-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183857
PNG
((2R,4R)-1-((4-(3-chloro-2-fluorophenylamino)-7-met...)
Show SMILES CO[C@@H]1C[C@@H](N(Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1)C(N)=O
Show InChI InChI=1S/C22H23ClFN5O3/c1-31-13-7-18(21(25)30)29(10-13)9-12-6-14-17(8-19(12)32-2)26-11-27-22(14)28-16-5-3-4-15(23)20(16)24/h3-6,8,11,13,18H,7,9-10H2,1-2H3,(H2,25,30)(H,26,27,28)/t13-,18-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183846
PNG
(4-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(CC1)C(C)C)C(N)=O
Show InChI InChI=1S/C26H32ClFN6O2/c1-16(2)34-10-8-26(9-11-34,25(29)35)33(3)14-17-12-18-21(13-22(17)36-4)30-15-31-24(18)32-20-7-5-6-19(27)23(20)28/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H2,29,35)(H,30,31,32)
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n/an/a 25n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183854
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183844
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CO)C(N)=O
Show InChI InChI=1S/C20H21ClFN5O3/c1-27(16(9-28)19(23)29)8-11-6-12-15(7-17(11)30-2)24-10-25-20(12)26-14-5-3-4-13(21)18(14)22/h3-7,10,16,28H,8-9H2,1-2H3,(H2,23,29)(H,24,25,26)/t16-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183839
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCN(C)CC1C(N)=O
Show InChI InChI=1S/C22H24ClFN6O2/c1-29-6-7-30(18(11-29)21(25)31)10-13-8-14-17(9-19(13)32-2)26-12-27-22(14)28-16-5-3-4-15(23)20(16)24/h3-5,8-9,12,18H,6-7,10-11H2,1-2H3,(H2,25,31)(H,26,27,28)
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n/an/a 30n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183842
PNG
((S)-1-((4-(3-chloro-2-fluorophenylamino)-7-methoxy...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-30-18-9-16-13(8-12(18)10-28-7-3-6-17(28)20(24)29)21(26-11-25-16)27-15-5-2-4-14(22)19(15)23/h2,4-5,8-9,11,17H,3,6-7,10H2,1H3,(H2,24,29)(H,25,26,27)/t17-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183835
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(N)=O
Show InChI InChI=1S/C20H21ClFN5O2/c1-11(19(23)28)27(2)9-12-7-13-16(8-17(12)29-3)24-10-25-20(13)26-15-6-4-5-14(21)18(15)22/h4-8,10-11H,9H2,1-3H3,(H2,23,28)(H,24,25,26)/t11-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183843
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
Show InChI InChI=1S/C21H23ClFN5O3/c1-28(17(10-30-2)20(24)29)9-12-7-13-16(8-18(12)31-3)25-11-26-21(13)27-15-6-4-5-14(22)19(15)23/h4-8,11,17H,9-10H2,1-3H3,(H2,24,29)(H,25,26,27)/t17-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(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 33n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183840
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C1)C(C)C)C(N)=O
Show InChI InChI=1S/C24H28ClFN6O2/c1-14(2)32-11-24(12-32,23(27)33)31(3)10-15-8-16-19(9-20(15)34-4)28-13-29-22(16)30-18-7-5-6-17(25)21(18)26/h5-9,13-14H,10-12H2,1-4H3,(H2,27,33)(H,28,29,30)
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n/an/a 35n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Antiproliferative activity against EGF-stimulated human KB cell line


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183843
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
Show InChI InChI=1S/C21H23ClFN5O3/c1-28(17(10-30-2)20(24)29)9-12-7-13-16(8-18(12)31-3)25-11-26-21(13)27-15-6-4-5-14(22)19(15)23/h4-8,11,17H,9-10H2,1-3H3,(H2,24,29)(H,25,26,27)/t17-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183858
PNG
(4-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(C)CC1)C(N)=O
Show InChI InChI=1S/C24H28ClFN6O2/c1-31-9-7-24(8-10-31,23(27)33)32(2)13-15-11-16-19(12-20(15)34-3)28-14-29-22(16)30-18-6-4-5-17(25)21(18)26/h4-6,11-12,14H,7-10,13H2,1-3H3,(H2,27,33)(H,28,29,30)
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n/an/a 40n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Antiproliferative activity against EGF-stimulated human KB cell line


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183837
PNG
((R)-1-((4-(3-chloro-4-fluorophenylamino)-7-methoxy...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@@H]1C(N)=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-30-19-9-17-14(7-12(19)10-28-6-2-3-18(28)20(24)29)21(26-11-25-17)27-13-4-5-16(23)15(22)8-13/h4-5,7-9,11,18H,2-3,6,10H2,1H3,(H2,24,29)(H,25,26,27)/t18-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183860
PNG
((R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(=O)N(C)C
Show InChI InChI=1S/C22H25ClFN5O2/c1-13(22(30)28(2)3)29(4)11-14-9-15-18(10-19(14)31-5)25-12-26-21(15)27-17-8-6-7-16(23)20(17)24/h6-10,12-13H,11H2,1-5H3,(H,25,26,27)/t13-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183852
PNG
(2-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)CC(N)=O
Show InChI InChI=1S/C19H19ClFN5O2/c1-26(9-17(22)27)8-11-6-12-15(7-16(11)28-2)23-10-24-19(12)25-14-5-3-4-13(20)18(14)21/h3-7,10H,8-9H2,1-2H3,(H2,22,27)(H,23,24,25)
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n/an/a 45n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183856
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COCCN1CC(C1)(N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
Show InChI InChI=1S/C24H28ClFN6O3/c1-31(24(23(27)33)12-32(13-24)7-8-34-2)11-15-9-16-19(10-20(15)35-3)28-14-29-22(16)30-18-6-4-5-17(25)21(18)26/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H2,27,33)(H,28,29,30)
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n/an/a 45n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183849
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C(C)C)[C@@H](C)C(N)=O
Show InChI InChI=1S/C22H25ClFN5O2/c1-12(2)29(13(3)21(25)30)10-14-8-15-18(9-19(14)31-4)26-11-27-22(15)28-17-7-5-6-16(23)20(17)24/h5-9,11-13H,10H2,1-4H3,(H2,25,30)(H,26,27,28)/t13-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Antiproliferative activity against EGF-stimulated human KB cell line


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183845
PNG
((R)-1-((4-(3-chloro-2-fluorophenylamino)-7-methoxy...)
Show SMILES CNC(=O)[C@H]1CCCN1Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show InChI InChI=1S/C22H23ClFN5O2/c1-25-22(30)18-7-4-8-29(18)11-13-9-14-17(10-19(13)31-2)26-12-27-21(14)28-16-6-3-5-15(23)20(16)24/h3,5-6,9-10,12,18H,4,7-8,11H2,1-2H3,(H,25,30)(H,26,27,28)/t18-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183836
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC(C1)C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-6-16-13(5-11(17)7-27-8-12(9-27)19(23)28)20(25-10-24-16)26-15-4-2-3-14(21)18(15)22/h2-6,10,12H,7-9H2,1H3,(H2,23,28)(H,24,25,26)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183831
PNG
(4-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1C(N)=O
Show InChI InChI=1S/C21H21ClFN5O3/c1-30-18-8-16-13(7-12(18)9-28-5-6-31-10-17(28)20(24)29)21(26-11-25-16)27-15-4-2-3-14(22)19(15)23/h2-4,7-8,11,17H,5-6,9-10H2,1H3,(H2,24,29)(H,25,26,27)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183853
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COCC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
Show InChI InChI=1S/C22H25ClFN5O3/c1-29(18(21(25)30)7-8-31-2)11-13-9-14-17(10-19(13)32-3)26-12-27-22(14)28-16-6-4-5-15(23)20(16)24/h4-6,9-10,12,18H,7-8,11H2,1-3H3,(H2,25,30)(H,26,27,28)/t18-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Antiproliferative activity against EGF-stimulated human KB cell line


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183848
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CN(C)C)C(N)=O
Show InChI InChI=1S/C22H26ClFN6O2/c1-29(2)11-18(21(25)31)30(3)10-13-8-14-17(9-19(13)32-4)26-12-27-22(14)28-16-7-5-6-15(23)20(16)24/h5-9,12,18H,10-11H2,1-4H3,(H2,25,31)(H,26,27,28)/t18-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(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 54n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183842
PNG
((S)-1-((4-(3-chloro-2-fluorophenylamino)-7-methoxy...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-30-18-9-16-13(8-12(18)10-28-7-3-6-17(28)20(24)29)21(26-11-25-16)27-15-5-2-4-14(22)19(15)23/h2,4-5,8-9,11,17H,3,6-7,10H2,1H3,(H2,24,29)(H,25,26,27)/t17-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183838
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COCCN(Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)[C@@H](C)C(N)=O
Show InChI InChI=1S/C22H25ClFN5O3/c1-13(21(25)30)29(7-8-31-2)11-14-9-15-18(10-19(14)32-3)26-12-27-22(15)28-17-6-4-5-16(23)20(17)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H2,25,30)(H,26,27,28)/t13-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183841
PNG
(3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
Show InChI InChI=1S/C21H21ClFN5O2/c1-28(17-6-7-24-21(17)29)10-12-8-13-16(9-18(12)30-2)25-11-26-20(13)27-15-5-3-4-14(22)19(15)23/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,24,29)(H,25,26,27)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183861
PNG
(1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
Show InChI InChI=1S/C20H19ClFN5O2/c1-29-17-8-15-12(7-11(17)9-27-6-5-16(27)19(23)28)20(25-10-24-15)26-14-4-2-3-13(21)18(14)22/h2-4,7-8,10,16H,5-6,9H2,1H3,(H2,23,28)(H,24,25,26)
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183848
PNG
((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CN(C)C)C(N)=O
Show InChI InChI=1S/C22H26ClFN6O2/c1-29(2)11-18(21(25)31)30(3)10-13-8-14-17(9-19(13)32-4)26-12-27-22(14)28-16-7-5-6-15(23)20(16)24/h5-9,12,18H,10-11H2,1-4H3,(H2,25,31)(H,26,27,28)/t18-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Antiproliferative activity against EGF-stimulated human KB cell line


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50183864
PNG
((R)-1-((4-(3-chloro-2-fluorophenylamino)-7-methoxy...)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC[C@@H]1C(N)=O
Show InChI InChI=1S/C22H23ClFN5O2/c1-31-19-10-17-14(9-13(19)11-29-8-3-2-7-18(29)21(25)30)22(27-12-26-17)28-16-6-4-5-15(23)20(16)24/h4-6,9-10,12,18H,2-3,7-8,11H2,1H3,(H2,25,30)(H,26,27,28)/t18-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of EGFR in presence of 2 uM ATP


Bioorg Med Chem Lett 16: 2672-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.025
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%