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Patent code US8524722

Compile Data Set for Download or QSAR
Found 21 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))		BDBM101243
PNG
(US8524722, 143)
Show SMILES Clc1ccc(Nc2ncnc3sc4CN(CCCc4c23)C(=O)\C=C\CN2CCCOCC2)cc1Cl
Show InChI InChI=1S/C25H27Cl2N5O2S/c26-19-7-6-17(14-20(19)27)30-24-23-18-4-1-10-32(15-21(18)35-25(23)29-16-28-24)22(33)5-2-8-31-9-3-12-34-13-11-31/h2,5-7,14,16H,1,3-4,8-13,15H2,(H,28,29,30)/b5-2+
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US Patent
n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101240
PNG
(US8524722, 123)
Show SMILES CC(C)C(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3cc(O)cc(Cl)c3)c21
Show InChI InChI=1S/C24H27ClN4O2S/c1-14(2)15(3)5-4-6-21(31)29-8-7-19-20(12-29)32-24-22(19)23(26-13-27-24)28-17-9-16(25)10-18(30)11-17/h4,6,9-11,13-15,30H,5,7-8,12H2,1-3H3,(H,26,27,28)/b6-4+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101232
PNG
(US8524722, 70)
Show SMILES CN(C)C(=O)N1CCN(C\C=C\C(=O)N2CCc3c(C2)sc2ncnc(Nc4ccc(F)c(Cl)c4)c32)CC1
Show InChI InChI=1S/C26H29ClFN7O2S/c1-32(2)26(37)34-12-10-33(11-13-34)8-3-4-22(36)35-9-7-18-21(15-35)38-25-23(18)24(29-16-30-25)31-17-5-6-20(28)19(27)14-17/h3-6,14,16H,7-13,15H2,1-2H3,(H,29,30,31)/b4-3+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101230
PNG
(US8524722, 14)
Show SMILES CN1CCC[C@H]1\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21 |r|
Show InChI InChI=1S/C23H23ClFN5OS/c1-29-9-2-3-15(29)5-7-20(31)30-10-8-16-19(12-30)32-23-21(16)22(26-13-27-23)28-14-4-6-18(25)17(24)11-14/h4-7,11,13,15H,2-3,8-10,12H2,1H3,(H,26,27,28)/b7-5+/t15-/m0/s1
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101226
PNG
(US8524722, 5)
Show SMILES Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\CN2CCCOCC2)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O2S/c25-18-13-16(4-5-19(18)26)29-23-22-17-6-9-31(14-20(17)34-24(22)28-15-27-23)21(32)3-1-7-30-8-2-11-33-12-10-30/h1,3-5,13,15H,2,6-12,14H2,(H,27,28,29)/b3-1+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101239
PNG
(US8524722, 119)
Show SMILES Clc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\CNC23CC4CC(CC(C4)C2)C3)cc1Cl |TLB:34:25:32:28.29.30,THB:33:25:28:32.31.30,33:31:28:25.34.26,24:25:32:28.29.30,34:29:32:25.33.26|
Show InChI InChI=1S/C29H31Cl2N5OS/c30-22-4-3-20(11-23(22)31)35-27-26-21-5-7-36(15-24(21)38-28(26)33-16-32-27)25(37)2-1-6-34-29-12-17-8-18(13-29)10-19(9-17)14-29/h1-4,11,16-19,34H,5-10,12-15H2,(H,32,33,35)/b2-1+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101237
PNG
(US8524722, 90)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CCc2c(C1)oc1ncnc(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1S/C23H25ClFN5O2/c1-14(2)29(3)9-4-5-20(31)30-10-8-16-19(12-30)32-23-21(16)22(26-13-27-23)28-15-6-7-18(25)17(24)11-15/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,26,27,28)/b5-4+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101231
PNG
(US8524722, 31)
Show SMILES COCCN(CCOC)C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1S/C25H29ClFN5O3S/c1-34-12-10-31(11-13-35-2)8-3-4-22(33)32-9-7-18-21(15-32)36-25-23(18)24(28-16-29-25)30-17-5-6-20(27)19(26)14-17/h3-6,14,16H,7-13,15H2,1-2H3,(H,28,29,30)/b4-3+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101241
PNG
(US8524722, 134)
Show SMILES CN(C\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3cc(O)c(Cl)c(Cl)c3)c21)C(C)(C)C
Show InChI InChI=1S/C24H27Cl2N5O2S/c1-24(2,3)30(4)8-5-6-19(33)31-9-7-15-18(12-31)34-23-20(15)22(27-13-28-23)29-14-10-16(25)21(26)17(32)11-14/h5-6,10-11,13,32H,7-9,12H2,1-4H3,(H,27,28,29)/b6-5+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101228
PNG
(US8524722, 12)
Show SMILES CC(C)(CN1CCOCC1)NC\C=C\C(=O)N1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1S/C27H32ClFN6O2S/c1-27(2,16-34-10-12-37-13-11-34)32-8-3-4-23(36)35-9-7-19-22(15-35)38-26-24(19)25(30-17-31-26)33-18-5-6-21(29)20(28)14-18/h3-6,14,17,32H,7-13,15-16H2,1-2H3,(H,30,31,33)/b4-3+
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n/an/a 1n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101227
PNG
(US8524722, 10)
Show SMILES Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\CN2C3CCC2CC3)cc1Cl
Show InChI InChI=1S/C25H25ClFN5OS/c26-19-12-15(3-8-20(19)27)30-24-23-18-9-11-31(13-21(18)34-25(23)29-14-28-24)22(33)2-1-10-32-16-4-5-17(32)7-6-16/h1-3,8,12,14,16-17H,4-7,9-11,13H2,(H,28,29,30)/b2-1+
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n/an/a 1.10n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101234
PNG
(US8524722, 84)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1Cc2sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3c2C1
Show InChI InChI=1S/C22H23Cl2N5OS/c1-13(2)28(3)8-4-5-19(30)29-10-15-18(11-29)31-22-20(15)21(25-12-26-22)27-14-6-7-16(23)17(24)9-14/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,25,26,27)/b5-4+
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n/an/a 1.40n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101229
PNG
(US8524722, 13)
Show SMILES Fc1ccc(Nc2ncnc3sc4CN(CCc4c23)C(=O)\C=C\[C@@H]2CCCN2)cc1Cl |r|
Show InChI InChI=1S/C22H21ClFN5OS/c23-16-10-14(3-5-17(16)24)28-21-20-15-7-9-29(11-18(15)31-22(20)27-12-26-21)19(30)6-4-13-2-1-8-25-13/h3-6,10,12-13,25H,1-2,7-9,11H2,(H,26,27,28)/b6-4+/t13-/m0/s1
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n/an/a 2n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101244
PNG
(US8524722, 148)
Show SMILES Clc1ccc(Nc2c(cnc3sc4CN(CCc4c23)C(=O)\C=C\CN2CCCOCC2)C#N)cc1Cl
Show InChI InChI=1S/C26H25Cl2N5O2S/c27-20-5-4-18(13-21(20)28)31-25-17(14-29)15-30-26-24(25)19-6-9-33(16-22(19)36-26)23(34)3-1-7-32-8-2-11-35-12-10-32/h1,3-5,13,15H,2,6-12,16H2,(H,30,31)/b3-1+
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n/an/a 4.30n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50330241
PNG
((E)-4-(Dimethylamino)-1-(4-[(1R)-1-phenylethyl]ami...)
Show SMILES C[C@@H](Nc1ncnc2sc3CN(CCc3c12)C(=O)\C=C\CN(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C23H27N5OS/c1-16(17-8-5-4-6-9-17)26-22-21-18-11-13-28(20(29)10-7-12-27(2)3)14-19(18)30-23(21)25-15-24-22/h4-10,15-16H,11-14H2,1-3H3,(H,24,25,26)/b10-7+/t16-/m1/s1
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n/an/a 4.60n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101235
PNG
(US8524722, 86)
Show SMILES CN(C)C\C=C\C(=O)N1Cc2sc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C1
Show InChI InChI=1S/C27H25ClFN5O2S/c1-33(2)10-4-7-24(35)34-13-20-23(14-34)37-27-25(20)26(30-16-31-27)32-19-8-9-22(21(28)12-19)36-15-17-5-3-6-18(29)11-17/h3-9,11-12,16H,10,13-15H2,1-2H3,(H,30,31,32)/b7-4+
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n/an/a 5n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101245
PNG
(US8524722, 151)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncc(C#N)c(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c21
Show InChI InChI=1S/C33H32FN7OS/c1-21(2)39(3)12-5-8-30(42)40-13-11-27-29(20-40)43-33-31(27)32(24(16-35)17-36-33)38-26-9-10-28-23(15-26)18-37-41(28)19-22-6-4-7-25(34)14-22/h4-10,14-15,17-18,21H,11-13,19-20H2,1-3H3,(H,36,38)/b8-5+
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n/an/a 6.40n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101242
PNG
(US8524722, 139)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CCc2sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3c2C1
Show InChI InChI=1S/C23H25Cl2N5OS/c1-14(2)29(3)9-4-5-20(31)30-10-8-19-16(12-30)21-22(26-13-27-23(21)32-19)28-15-6-7-17(24)18(25)11-15/h4-7,11,13-14H,8-10,12H2,1-3H3,(H,26,27,28)/b5-4+
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n/an/a 9.20n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101238
PNG
(US8524722, 95)
Show SMILES CN(C)C\C=C\C(=O)N1CCc2c(C1)sc1ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c21
Show InChI InChI=1S/C23H21ClFN5OS/c1-29(2)8-3-4-20(31)30-9-7-16-19(13-30)32-23-21(16)22(14(11-26)12-27-23)28-15-5-6-18(25)17(24)10-15/h3-6,10,12H,7-9,13H2,1-2H3,(H,27,28)/b4-3+
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US Patent
n/an/a 10n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101233
PNG
(US8524722, 81)
Show SMILES CN(C)C\C=C\C(=O)N1Cc2sc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2C1
Show InChI InChI=1S/C20H19ClFN5OS/c1-26(2)7-3-4-17(28)27-9-13-16(10-27)29-20-18(13)19(23-11-24-20)25-12-5-6-15(22)14(21)8-12/h3-6,8,11H,7,9-10H2,1-2H3,(H,23,24,25)/b4-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 12n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM101236
PNG
(US8524722, 87)
Show SMILES CN(C)C\C=C\C(=O)N1Cc2sc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2C1
Show InChI InChI=1S/C26H25ClN6O2S/c1-32(2)11-5-7-23(34)33-13-19-22(14-33)36-26-24(19)25(29-16-30-26)31-17-8-9-21(20(27)12-17)35-15-18-6-3-4-10-28-18/h3-10,12,16H,11,13-15H2,1-2H3,(H,29,30,31)/b7-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 19n/an/an/an/a7.022



Bayer Intellectual Property GmbH

US Patent


Assay Description
EGFR inhibitory activity of compounds of the present invention is quantified employing the EGFR HTRF assay.

US Patent US8524722 (2013)


BindingDB Entry DOI: 10.7270/Q2B856RQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%