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PubMed code 15177440

Compile data set for download or QSAR
Found 34 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))
BDBM31090
PNG
((E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-eth...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
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n/an/a 80n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122578
PNG
(4-Dimethylamino-but-2-ynoic acid [4-(3-bromo-pheny...)
Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CCN(C)C
Show InChI InChI=1S/C23H20BrN5O2/c1-29(2)9-5-8-22(30)28-20-11-18-19(12-21(20)31-3)26-14-15(13-25)23(18)27-17-7-4-6-16(24)10-17/h4,6-7,10-12,14H,9H2,1-3H3,(H,26,27)(H,28,30)
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n/an/a 90n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122565
PNG
(4-Dipropylamino-but-2-ynoic acid [4-(3-bromo-pheny...)
Show SMILES CCCN(CCC)CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C26H26BrN5O/c1-3-12-32(13-4-2)14-6-9-25(33)30-22-10-11-24-23(16-22)26(19(17-28)18-29-24)31-21-8-5-7-20(27)15-21/h5,7-8,10-11,15-16,18H,3-4,12-14H2,1-2H3,(H,29,31)(H,30,33)
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n/an/a 130n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50148236
PNG
(4-(2-Methoxymethyl-pyrrolidin-1-yl)-but-2-ynoic ac...)
Show SMILES COC[C@@H]1CCCN1CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C26H24BrN5O2/c1-34-17-22-7-3-11-32(22)12-4-8-25(33)30-21-9-10-24-23(14-21)26(18(15-28)16-29-24)31-20-6-2-5-19(27)13-20/h2,5-6,9-10,13-14,16,22H,3,7,11-12,17H2,1H3,(H,29,31)(H,30,33)/t22-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122566
PNG
(4-Diisopropylamino-but-2-ynoic acid [4-(3-bromo-ph...)
Show SMILES CC(C)N(CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1)C(C)C
Show InChI InChI=1S/C26H26BrN5O/c1-17(2)32(18(3)4)12-6-9-25(33)30-22-10-11-24-23(14-22)26(19(15-28)16-29-24)31-21-8-5-7-20(27)13-21/h5,7-8,10-11,13-14,16-18H,12H2,1-4H3,(H,29,31)(H,30,33)
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n/an/a 250n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122567
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H20BrN5O/c1-28(2)10-4-7-21(29)26-18-8-9-20-19(12-18)22(15(13-24)14-25-20)27-17-6-3-5-16(23)11-17/h3-9,11-12,14H,10H2,1-2H3,(H,25,27)(H,26,29)/b7-4+
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n/an/a 310n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50148234
PNG
(3-Methoxymethoxy-propynoic acid [4-(3-bromo-phenyl...)
Show SMILES COCOCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C22H17BrN4O3/c1-29-14-30-9-3-6-21(28)26-18-7-8-20-19(11-18)22(15(12-24)13-25-20)27-17-5-2-4-16(23)10-17/h2,4-5,7-8,10-11,13H,9,14H2,1H3,(H,25,27)(H,26,28)
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n/an/a 330n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122577
PNG
(4-Thiomorpholin-4-yl-but-2-ynoic acid [4-(3-bromo-...)
Show SMILES Brc1cccc(Nc2c(cnc3ccc(NC(=O)C#CCN4CCSCC4)cc23)C#N)c1
Show InChI InChI=1S/C24H20BrN5OS/c25-18-3-1-4-19(13-18)29-24-17(15-26)16-27-22-7-6-20(14-21(22)24)28-23(31)5-2-8-30-9-11-32-12-10-30/h1,3-4,6-7,13-14,16H,8-12H2,(H,27,29)(H,28,31)
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n/an/a 550n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122579
PNG
(CHEMBL117326 | N-[4-(3-Chloro-4-fluoro-phenylamino...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(=C)CN(C)C
Show InChI InChI=1S/C24H23ClFN5O2/c1-5-33-22-10-20-17(9-21(22)30-24(32)14(2)13-31(3)4)23(15(11-27)12-28-20)29-16-6-7-19(26)18(25)8-16/h6-10,12H,2,5,13H2,1,3-4H3,(H,28,29)(H,30,32)
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n/an/a 560n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122562
PNG
(CHEMBL281300 | N-[4-(3-Bromo-phenylamino)-3-cyano-...)
Show SMILES Brc1cccc(Nc2c(cnc3ccc(NC(=O)C=C)cc23)C#N)c1
Show InChI InChI=1S/C19H13BrN4O/c1-2-18(25)23-15-6-7-17-16(9-15)19(12(10-21)11-22-17)24-14-5-3-4-13(20)8-14/h2-9,11H,1H2,(H,22,24)(H,23,25)
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n/an/a 590n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122563
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-chloro-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C22H19ClFN5O/c1-29(2)9-3-4-21(30)27-15-6-8-20-17(10-15)22(14(12-25)13-26-20)28-16-5-7-19(24)18(23)11-16/h3-8,10-11,13H,9H2,1-2H3,(H,26,28)(H,27,30)/b4-3+
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n/an/a 650n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122588
PNG
(4-Methoxy-but-2-ynoic acid [4-(3-bromo-phenylamino...)
Show SMILES COCC#CC(=O)Nc1cc2c(Nc3cccc(Br)c3)c(cnc2cc1OC)C#N
Show InChI InChI=1S/C22H17BrN4O3/c1-29-8-4-7-21(28)27-19-10-17-18(11-20(19)30-2)25-13-14(12-24)22(17)26-16-6-3-5-15(23)9-16/h3,5-6,9-11,13H,8H2,1-2H3,(H,25,26)(H,27,28)
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n/an/a 790n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122560
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...)
Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C23H22BrN5O2/c1-29(2)9-5-8-22(30)28-20-11-18-19(12-21(20)31-3)26-14-15(13-25)23(18)27-17-7-4-6-16(24)10-17/h4-8,10-12,14H,9H2,1-3H3,(H,26,27)(H,28,30)/b8-5+
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n/an/a 790n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122583
PNG
(CHEMBL324718 | N-[4-(3-Bromo-phenylamino)-3-cyano-...)
Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C=C
Show InChI InChI=1S/C20H15BrN4O2/c1-3-19(26)25-17-8-15-16(9-18(17)27-2)23-11-12(10-22)20(15)24-14-6-4-5-13(21)7-14/h3-9,11H,1H2,2H3,(H,23,24)(H,25,26)
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n/an/a 810n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122572
PNG
(But-2-ynoic acid [4-(3-bromo-phenylamino)-3-cyano-...)
Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)C#CC
Show InChI InChI=1S/C21H15BrN4O2/c1-3-5-20(27)26-18-9-16-17(10-19(18)28-2)24-12-13(11-23)21(16)25-15-7-4-6-14(22)8-15/h4,6-10,12H,1-2H3,(H,24,25)(H,26,27)
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n/an/a 910n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50148235
PNG
(3-(2-Methoxy-ethoxy)-propynoic acid [4-(3-bromo-ph...)
Show SMILES COCCOCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C23H19BrN4O3/c1-30-10-11-31-9-3-6-22(29)27-19-7-8-21-20(13-19)23(16(14-25)15-26-21)28-18-5-2-4-17(24)12-18/h2,4-5,7-8,12-13,15H,9-11H2,1H3,(H,26,28)(H,27,29)
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n/an/a 930n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122573
PNG
(But-2-ynoic acid [4-(3-bromo-phenylamino)-3-cyano-...)
Show SMILES CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H13BrN4O/c1-2-4-19(26)24-16-7-8-18-17(10-16)20(13(11-22)12-23-18)25-15-6-3-5-14(21)9-15/h3,5-10,12H,1H3,(H,23,25)(H,24,26)
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n/an/a 940n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122582
PNG
(4-Methoxy-but-2-ynoic acid [4-(3-bromo-phenylamino...)
Show SMILES COCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C21H15BrN4O2/c1-28-9-3-6-20(27)25-17-7-8-19-18(11-17)21(14(12-23)13-24-19)26-16-5-2-4-15(22)10-16/h2,4-5,7-8,10-11,13H,9H2,1H3,(H,24,26)(H,25,27)
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n/an/a 960n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122581
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C24H24BrN5O2/c1-4-32-22-13-20-19(12-21(22)29-23(31)9-6-10-30(2)3)24(16(14-26)15-27-20)28-18-8-5-7-17(25)11-18/h5-9,11-13,15H,4,10H2,1-3H3,(H,27,28)(H,29,31)/b9-6+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122571
PNG
((E)-But-2-enoic acid [4-(3-bromo-phenylamino)-3-cy...)
Show SMILES C\C=C\C(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H15BrN4O/c1-2-4-19(26)24-16-7-8-18-17(10-16)20(13(11-22)12-23-18)25-15-6-3-5-14(21)9-15/h2-10,12H,1H3,(H,23,25)(H,24,26)/b4-2+
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n/an/a 1.62E+3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122589
PNG
((E)-4-Diethylamino-but-2-enoic acid [4-(3-chloro-4...)
Show SMILES CCN(CC)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OC)C#N
Show InChI InChI=1S/C25H25ClFN5O2/c1-4-32(5-2)10-6-7-24(33)31-22-12-18-21(13-23(22)34-3)29-15-16(14-28)25(18)30-17-8-9-20(27)19(26)11-17/h6-9,11-13,15H,4-5,10H2,1-3H3,(H,29,30)(H,31,33)/b7-6+
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n/an/a 1.91E+3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122564
PNG
((E)-4-Morpholin-4-yl-but-2-enoic acid [4-(3-chloro...)
Show SMILES Fc1ccc(Nc2c(cnc3ccc(NC(=O)\C=C\CN4CCOCC4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C24H21ClFN5O2/c25-20-13-18(3-5-21(20)26)30-24-16(14-27)15-28-22-6-4-17(12-19(22)24)29-23(32)2-1-7-31-8-10-33-11-9-31/h1-6,12-13,15H,7-11H2,(H,28,30)(H,29,32)/b2-1+
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n/an/a 2.29E+3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122574
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-chloro-...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C23H21ClFN5O2/c1-30(2)8-4-5-22(31)29-20-10-16-19(11-21(20)32-3)27-13-14(12-26)23(16)28-15-6-7-18(25)17(24)9-15/h4-7,9-11,13H,8H2,1-3H3,(H,27,28)(H,29,31)/b5-4+
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n/an/a 2.32E+3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122568
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-chloro-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OC(F)(F)F)C#N
Show InChI InChI=1S/C23H18ClF4N5O2/c1-33(2)7-3-4-21(34)32-19-9-15-18(10-20(19)35-23(26,27)28)30-12-13(11-29)22(15)31-14-5-6-17(25)16(24)8-14/h3-6,8-10,12H,7H2,1-2H3,(H,30,31)(H,32,34)/b4-3+
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n/an/a 2.64E+3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122580
PNG
(CHEMBL114392 | N-[4-(3-Chloro-4-fluoro-phenylamino...)
Show SMILES Fc1ccc(Nc2c(cnc3ccc(NC(=O)C(=C)CN4CCOCC4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C24H21ClFN5O2/c1-15(14-31-6-8-33-9-7-31)24(32)30-17-3-5-22-19(10-17)23(16(12-27)13-28-22)29-18-2-4-21(26)20(25)11-18/h2-5,10-11,13H,1,6-9,14H2,(H,28,29)(H,30,32)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122561
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...)
Show SMILES COc1cc(NC(=O)\C=C\CN(C)C)cc2c(Nc3cccc(Br)c3)c(cnc12)C#N
Show InChI InChI=1S/C23H22BrN5O2/c1-29(2)9-5-8-21(30)27-18-11-19-22(28-17-7-4-6-16(24)10-17)15(13-25)14-26-23(19)20(12-18)31-3/h4-8,10-12,14H,9H2,1-3H3,(H,26,28)(H,27,30)/b8-5+
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n/an/a 2.88E+3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122576
PNG
((E)-4-Morpholin-4-yl-but-2-enoic acid [4-(3-bromo-...)
Show SMILES COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN1CCOCC1
Show InChI InChI=1S/C25H24BrN5O3/c1-33-23-14-21-20(13-22(23)30-24(32)6-3-7-31-8-10-34-11-9-31)25(17(15-27)16-28-21)29-19-5-2-4-18(26)12-19/h2-6,12-14,16H,7-11H2,1H3,(H,28,29)(H,30,32)/b6-3+
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n/an/a 3.83E+3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122558
PNG
((E)-4-Diethylamino-pent-2-enoic acid [4-(3-chloro-...)
Show SMILES CCN(CC)C(C)\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cc1OC)C#N
Show InChI InChI=1S/C26H27ClFN5O2/c1-5-33(6-2)16(3)7-10-25(34)32-23-12-19-22(13-24(23)35-4)30-15-17(14-29)26(19)31-18-8-9-21(28)20(27)11-18/h7-13,15-16H,5-6H2,1-4H3,(H,30,31)(H,32,34)/b10-7+
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n/an/a 4.84E+3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122587
PNG
((E)-4-Dimethylamino-pent-2-enoic acid [4-(3-chloro...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\C(C)N(C)C
Show InChI InChI=1S/C24H23ClFN5O2/c1-14(31(2)3)5-8-23(32)30-21-10-17-20(11-22(21)33-4)28-13-15(12-27)24(17)29-16-6-7-19(26)18(25)9-16/h5-11,13-14H,1-4H3,(H,28,29)(H,30,32)/b8-5+
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n/an/a 5.22E+3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122559
PNG
((E)-4-Morpholin-4-yl-but-2-enoic acid [4-(3-bromo-...)
Show SMILES COc1cc(NC(=O)\C=C\CN2CCOCC2)cc2c(Nc3cccc(Br)c3)c(cnc12)C#N
Show InChI InChI=1S/C25H24BrN5O3/c1-33-22-14-20(29-23(32)6-3-7-31-8-10-34-11-9-31)13-21-24(17(15-27)16-28-25(21)22)30-19-5-2-4-18(26)12-19/h2-6,12-14,16H,7-11H2,1H3,(H,28,30)(H,29,32)/b6-3+
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n/an/a 5.39E+3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122586
PNG
((E)-But-2-enoic acid [4-(3-chloro-4-fluoro-phenyla...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\C
Show InChI InChI=1S/C22H18ClFN4O2/c1-3-5-21(29)28-19-9-15-18(10-20(19)30-4-2)26-12-13(11-25)22(15)27-14-6-7-17(24)16(23)8-14/h3,5-10,12H,4H2,1-2H3,(H,26,27)(H,28,29)/b5-3+
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n/an/a 7.50E+3n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122584
PNG
((E)-4-Morpholin-4-yl-but-2-enoic acid [4-(3-bromo-...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1NC(=O)\C=C\CN1CCOCC1
Show InChI InChI=1S/C26H26BrN5O3/c1-2-35-24-15-22-21(14-23(24)31-25(33)7-4-8-32-9-11-34-12-10-32)26(18(16-28)17-29-22)30-20-6-3-5-19(27)13-20/h3-7,13-15,17H,2,8-12H2,1H3,(H,29,30)(H,31,33)/b7-4+
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n/an/a 1.03E+4n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122557
PNG
((E)-4-Morpholin-4-yl-pent-2-enoic acid [4-(3-chlor...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\C(C)N1CCOCC1
Show InChI InChI=1S/C26H25ClFN5O3/c1-16(33-7-9-36-10-8-33)3-6-25(34)32-23-12-19-22(13-24(23)35-2)30-15-17(14-29)26(19)31-18-4-5-21(28)20(27)11-18/h3-6,11-13,15-16H,7-10H2,1-2H3,(H,30,31)(H,32,34)/b6-3+
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n/an/a 1.06E+4n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50122585
PNG
((E)-4-Morpholin-4-yl-but-2-enoic acid [4-(3-chloro...)
Show SMILES COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCOCC1
Show InChI InChI=1S/C25H23ClFN5O3/c1-34-23-13-21-18(12-22(23)31-24(33)3-2-6-32-7-9-35-10-8-32)25(16(14-28)15-29-21)30-17-4-5-20(27)19(26)11-17/h2-5,11-13,15H,6-10H2,1H3,(H,29,30)(H,31,33)/b3-2+
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n/an/a 1.36E+4n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)


Bioorg Med Chem Lett 14: 3397-400 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.080
BindingDB Entry DOI: 10.7270/Q21Z4505
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%