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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'schlosser' and Initial = 'km'   
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))
BDBM112498
PNG
(US8623883, No. 1)
Show SMILES FCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C25H26ClF2N5O2/c26-19-13-17(6-7-20(19)28)31-25-18-14-22(23(35-12-8-27)15-21(18)29-16-30-25)32-24(34)5-4-11-33-9-2-1-3-10-33/h4-7,13-16H,1-3,8-12H2,(H,32,34)(H,29,30,31)/b5-4+
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US Patent
n/an/a 6.44n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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US Patent
n/an/a 6.90n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112500
PNG
(US8623883, No. 6)
Show SMILES FC(F)COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C25H25ClF3N5O2/c26-18-11-16(6-7-19(18)27)32-25-17-12-21(22(36-14-23(28)29)13-20(17)30-15-31-25)33-24(35)5-4-10-34-8-2-1-3-9-34/h4-7,11-13,15,23H,1-3,8-10,14H2,(H,33,35)(H,30,31,32)/b5-4+
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US Patent
n/an/a 9.87n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112501
PNG
(US8623883, No. 7)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C30H36ClFN6O3/c31-24-18-22(7-8-25(24)32)35-30-23-19-27(36-29(39)6-4-11-37-9-2-1-3-10-37)28(20-26(23)33-21-34-30)41-15-5-12-38-13-16-40-17-14-38/h4,6-8,18-21H,1-3,5,9-17H2,(H,36,39)(H,33,34,35)/b6-4+
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n/an/a 11.3n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112504
PNG
(US8623883, No. 10)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCCC1
Show InChI InChI=1S/C25H27ClFN5O2/c1-34-23-15-21-18(25(29-16-28-21)30-17-8-9-20(27)19(26)13-17)14-22(23)31-24(33)7-6-12-32-10-4-2-3-5-11-32/h6-9,13-16H,2-5,10-12H2,1H3,(H,31,33)(H,28,29,30)/b7-6+
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n/an/a 12.1n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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n/an/a 16.7n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112503
PNG
(US8623883, No. 9)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(F)CC1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-17(24(29-14-28-20)30-16-4-5-19(27)18(25)11-16)12-21(22)31-23(33)3-2-8-32-9-6-15(26)7-10-32/h2-5,11-15H,6-10H2,1H3,(H,31,33)(H,28,29,30)/b3-2+
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US Patent
n/an/a 18.1n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM112504
PNG
(US8623883, No. 10)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCCC1
Show InChI InChI=1S/C25H27ClFN5O2/c1-34-23-15-21-18(25(29-16-28-21)30-17-8-9-20(27)19(26)13-17)14-22(23)31-24(33)7-6-12-32-10-4-2-3-5-11-32/h6-9,13-16H,2-5,10-12H2,1H3,(H,31,33)(H,28,29,30)/b7-6+
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US Patent
n/an/a 41.3n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM112502
PNG
(US8623883, No. 8)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCC(F)C1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-12-20-17(24(29-14-28-20)30-16-6-7-19(27)18(25)10-16)11-21(22)31-23(33)5-3-9-32-8-2-4-15(26)13-32/h3,5-7,10-12,14-15H,2,4,8-9,13H2,1H3,(H,31,33)(H,28,29,30)/b5-3+
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US Patent
n/an/a 45.3n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM112501
PNG
(US8623883, No. 7)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C30H36ClFN6O3/c31-24-18-22(7-8-25(24)32)35-30-23-19-27(36-29(39)6-4-11-37-9-2-1-3-10-37)28(20-26(23)33-21-34-30)41-15-5-12-38-13-16-40-17-14-38/h4,6-8,18-21H,1-3,5,9-17H2,(H,36,39)(H,33,34,35)/b6-4+
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US Patent
n/an/a 61.5n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM112498
PNG
(US8623883, No. 1)
Show SMILES FCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C25H26ClF2N5O2/c26-19-13-17(6-7-20(19)28)31-25-18-14-22(23(35-12-8-27)15-21(18)29-16-30-25)32-24(34)5-4-11-33-9-2-1-3-10-33/h4-7,13-16H,1-3,8-12H2,(H,32,34)(H,29,30,31)/b5-4+
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US Patent
n/an/a 77.5n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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US Patent
n/an/a 83.7n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM112501
PNG
(US8623883, No. 7)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C30H36ClFN6O3/c31-24-18-22(7-8-25(24)32)35-30-23-19-27(36-29(39)6-4-11-37-9-2-1-3-10-37)28(20-26(23)33-21-34-30)41-15-5-12-38-13-16-40-17-14-38/h4,6-8,18-21H,1-3,5,9-17H2,(H,36,39)(H,33,34,35)/b6-4+
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US Patent
n/an/a 84.0n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM112504
PNG
(US8623883, No. 10)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCCC1
Show InChI InChI=1S/C25H27ClFN5O2/c1-34-23-15-21-18(25(29-16-28-21)30-17-8-9-20(27)19(26)13-17)14-22(23)31-24(33)7-6-12-32-10-4-2-3-5-11-32/h6-9,13-16H,2-5,10-12H2,1H3,(H,31,33)(H,28,29,30)/b7-6+
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US Patent
n/an/a 86.0n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM112503
PNG
(US8623883, No. 9)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(F)CC1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-17(24(29-14-28-20)30-16-4-5-19(27)18(25)11-16)12-21(22)31-23(33)3-2-8-32-9-6-15(26)7-10-32/h2-5,11-15H,6-10H2,1H3,(H,31,33)(H,28,29,30)/b3-2+
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US Patent
n/an/a 147n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM112500
PNG
(US8623883, No. 6)
Show SMILES FC(F)COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C25H25ClF3N5O2/c26-18-11-16(6-7-19(18)27)32-25-17-12-21(22(36-14-23(28)29)13-20(17)30-15-31-25)33-24(35)5-4-10-34-8-2-1-3-9-34/h4-7,11-13,15,23H,1-3,8-10,14H2,(H,33,35)(H,30,31,32)/b5-4+
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US Patent
n/an/a 154n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM112502
PNG
(US8623883, No. 8)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCC(F)C1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-12-20-17(24(29-14-28-20)30-16-6-7-19(27)18(25)10-16)11-21(22)31-23(33)5-3-9-32-8-2-4-15(26)13-32/h3,5-7,10-12,14-15H,2,4,8-9,13H2,1H3,(H,31,33)(H,28,29,30)/b5-3+
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US Patent
n/an/a 212n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM112502
PNG
(US8623883, No. 8)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCC(F)C1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-12-20-17(24(29-14-28-20)30-16-6-7-19(27)18(25)10-16)11-21(22)31-23(33)5-3-9-32-8-2-4-15(26)13-32/h3,5-7,10-12,14-15H,2,4,8-9,13H2,1H3,(H,31,33)(H,28,29,30)/b5-3+
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US Patent
n/an/a 234n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM112500
PNG
(US8623883, No. 6)
Show SMILES FC(F)COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C25H25ClF3N5O2/c26-18-11-16(6-7-19(18)27)32-25-17-12-21(22(36-14-23(28)29)13-20(17)30-15-31-25)33-24(35)5-4-10-34-8-2-1-3-9-34/h4-7,11-13,15,23H,1-3,8-10,14H2,(H,33,35)(H,30,31,32)/b5-4+
PDB
MMDB

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US Patent
n/an/a 244n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM112503
PNG
(US8623883, No. 9)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(F)CC1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-17(24(29-14-28-20)30-16-4-5-19(27)18(25)11-16)12-21(22)31-23(33)3-2-8-32-9-6-15(26)7-10-32/h2-5,11-15H,6-10H2,1H3,(H,31,33)(H,28,29,30)/b3-2+
PDB
MMDB

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 247n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...


US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair