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PubMed code 22280453

Compile data set for download or QSAR
Found 19 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))
BDBM50383051
PNG
(CHEMBL2031302)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C
Show InChI InChI=1S/C19H16ClFN4O2/c1-3-18(26)25-16-8-12-15(9-17(16)27-4-2)22-10-23-19(12)24-11-5-6-14(21)13(20)7-11/h3,5-10H,1,4H2,2H3,(H,25,26)(H,22,23,24)
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n/an/a 0.180n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383049
PNG
(CHEMBL2031300)
Show SMILES CN1CCN(CCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)CC1
Show InChI InChI=1S/C22H25BrN6O/c1-28-9-11-29(12-10-28)8-7-21(30)26-18-5-6-20-19(14-18)22(25-15-24-20)27-17-4-2-3-16(23)13-17/h2-6,13-15H,7-12H2,1H3,(H,26,30)(H,24,25,27)
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n/an/a 0.230n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383052
PNG
(CHEMBL2031303)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN(C)C
Show InChI InChI=1S/C21H23ClFN5O2/c1-4-30-19-11-17-14(10-18(19)27-20(29)7-8-28(2)3)21(25-12-24-17)26-13-5-6-16(23)15(22)9-13/h5-6,9-12H,4,7-8H2,1-3H3,(H,27,29)(H,24,25,26)
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n/an/a 0.270n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383047
PNG
(CHEMBL2031298)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)CCN4CCCCC4)cc23)c1
Show InChI InChI=1S/C22H24BrN5O/c23-16-5-4-6-17(13-16)27-22-19-14-18(7-8-20(19)24-15-25-22)26-21(29)9-12-28-10-2-1-3-11-28/h4-8,13-15H,1-3,9-12H2,(H,26,29)(H,24,25,27)
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n/an/a 0.270n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383046
PNG
(CHEMBL2031297)
Show SMILES CN(C)CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C19H20BrN5O/c1-25(2)9-8-18(26)23-15-6-7-17-16(11-15)19(22-12-21-17)24-14-5-3-4-13(20)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,23,26)(H,21,22,24)
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n/an/a 0.280n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383054
PNG
(CHEMBL2031305)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCOCC1
Show InChI InChI=1S/C23H25ClFN5O3/c1-2-33-21-13-19-16(12-20(21)29-22(31)5-6-30-7-9-32-10-8-30)23(27-14-26-19)28-15-3-4-18(25)17(24)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,29,31)(H,26,27,28)
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n/an/a 0.290n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383048
PNG
(CHEMBL2031299)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)CCN4CCOCC4)cc23)c1
Show InChI InChI=1S/C21H22BrN5O2/c22-15-2-1-3-16(12-15)26-21-18-13-17(4-5-19(18)23-14-24-21)25-20(28)6-7-27-8-10-29-11-9-27/h1-5,12-14H,6-11H2,(H,25,28)(H,23,24,26)
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n/an/a 0.510n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383053
PNG
(CHEMBL2031304)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCCCC1
Show InChI InChI=1S/C24H27ClFN5O2/c1-2-33-22-14-20-17(13-21(22)30-23(32)8-11-31-9-4-3-5-10-31)24(28-15-27-20)29-16-6-7-19(26)18(25)12-16/h6-7,12-15H,2-5,8-11H2,1H3,(H,30,32)(H,27,28,29)
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n/an/a 0.510n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383056
PNG
(CHEMBL2031307)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN(C)C
Show InChI InChI=1S/C23H23ClFN5O2/c1-4-32-21-11-19-16(10-20(21)29-22(31)7-8-30(2)3)23(14(12-26)13-27-19)28-15-5-6-18(25)17(24)9-15/h5-6,9-11,13H,4,7-8H2,1-3H3,(H,27,28)(H,29,31)
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n/an/a 0.680n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383055
PNG
(CHEMBL2031306)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C
Show InChI InChI=1S/C21H16ClFN4O2/c1-3-20(28)27-18-8-14-17(9-19(18)29-4-2)25-11-12(10-24)21(14)26-13-5-6-16(23)15(22)7-13/h3,5-9,11H,1,4H2,2H3,(H,25,26)(H,27,28)
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n/an/a 1.46n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383043
PNG
(CHEMBL2031309)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCOCC1
Show InChI InChI=1S/C25H25ClFN5O3/c1-2-35-23-13-21-18(12-22(23)31-24(33)5-6-32-7-9-34-10-8-32)25(16(14-28)15-29-21)30-17-3-4-20(27)19(26)11-17/h3-4,11-13,15H,2,5-10H2,1H3,(H,29,30)(H,31,33)
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n/an/a 2.02n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383057
PNG
(CHEMBL2031308)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCN1CCCCC1
Show InChI InChI=1S/C26H27ClFN5O2/c1-2-35-24-14-22-19(13-23(24)32-25(34)8-11-33-9-4-3-5-10-33)26(17(15-29)16-30-22)31-18-6-7-21(28)20(27)12-18/h6-7,12-14,16H,2-5,8-11H2,1H3,(H,30,31)(H,32,34)
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n/an/a 2.21n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383044
PNG
(CHEMBL2031311)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCN(C)C
Show InChI InChI=1S/C29H29ClN6O3/c1-4-38-27-15-24-22(14-25(27)35-28(37)10-12-36(2)3)29(19(16-31)17-33-24)34-20-8-9-26(23(30)13-20)39-18-21-7-5-6-11-32-21/h5-9,11,13-15,17H,4,10,12,18H2,1-3H3,(H,33,34)(H,35,37)
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n/an/a 12.5n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383050
PNG
(CHEMBL2031301)
Show SMILES CN(C)CCC(=O)N(C)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C20H22BrN5O/c1-25(2)10-9-19(27)26(3)16-7-8-18-17(12-16)20(23-13-22-18)24-15-6-4-5-14(21)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,22,23,24)
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n/an/a 17.4n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383045
PNG
(CHEMBL2031312)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCN1CCCCC1
Show InChI InChI=1S/C32H33ClN6O3/c1-2-41-30-18-27-25(17-28(30)38-31(40)11-15-39-13-6-3-7-14-39)32(22(19-34)20-36-27)37-23-9-10-29(26(33)16-23)42-21-24-8-4-5-12-35-24/h4-5,8-10,12,16-18,20H,2-3,6-7,11,13-15,21H2,1H3,(H,36,37)(H,38,40)
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n/an/a 24.8n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383059
PNG
(CHEMBL2031313)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCN1CCOCC1
Show InChI InChI=1S/C31H31ClN6O4/c1-2-41-29-17-26-24(16-27(29)37-30(39)8-10-38-11-13-40-14-12-38)31(21(18-33)19-35-26)36-22-6-7-28(25(32)15-22)42-20-23-5-3-4-9-34-23/h3-7,9,15-17,19H,2,8,10-14,20H2,1H3,(H,35,36)(H,37,39)
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n/an/a 37.5n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50383058
PNG
(CHEMBL2031310)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C=C
Show InChI InChI=1S/C27H22ClN5O3/c1-3-26(34)33-23-12-20-22(13-25(23)35-4-2)31-15-17(14-29)27(20)32-18-8-9-24(21(28)11-18)36-16-19-7-5-6-10-30-19/h3,5-13,15H,1,4,16H2,2H3,(H,31,32)(H,33,34)
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n/an/a 50.7n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50383044
PNG
(CHEMBL2031311)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCN(C)C
Show InChI InChI=1S/C29H29ClN6O3/c1-4-38-27-15-24-22(14-25(27)35-28(37)10-12-36(2)3)29(19(16-31)17-33-24)34-20-8-9-26(23(30)13-20)39-18-21-7-5-6-11-32-21/h5-9,11,13-15,17H,4,10,12,18H2,1-3H3,(H,33,34)(H,35,37)
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n/an/a 970n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time-resolved fluorometry


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50383045
PNG
(CHEMBL2031312)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCN1CCCCC1
Show InChI InChI=1S/C32H33ClN6O3/c1-2-41-30-18-27-25(17-28(30)38-31(40)11-15-39-13-6-3-7-14-39)32(22(19-34)20-36-27)37-23-9-10-29(26(33)16-23)42-21-24-8-4-5-12-35-24/h4-5,8-10,12,16-18,20H,2-3,6-7,11,13-15,21H2,1H3,(H,36,37)(H,38,40)
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Article
PubMed
n/an/a 980n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by time-resolved fluorometry


J Med Chem 55: 2251-64 (2012)


Article DOI: 10.1021/jm201507x
BindingDB Entry DOI: 10.7270/Q20K29M1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%