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Patent code US10246444

Compile Data Set for Download or QSAR
Found 134 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(L858R)


(Homo sapiens (Human))		BDBM373708
PNG
(US10246444, Example 85)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373724
PNG
(US10246444, Example 95)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))		BDBM373725
PNG
(US10246444, Example 98)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m0/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373727
PNG
(US10246444, Example 105)
Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C27H27N5O3S2/c1-16-10-18(5-7-24(16)35-19-6-4-17(2)28-14-19)31-27-21-12-23(25(34-3)13-22(21)29-15-30-27)32-26(33)11-20-8-9-36-37-20/h4-7,10,12-15,20H,8-9,11H2,1-3H3,(H,32,33)(H,29,30,31)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373729
PNG
(US10246444, Example 110)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C26H22ClFN4O3S2/c1-34-24-10-21-19(9-22(24)32-26(33)16-12-36-37-13-16)25(30-14-29-21)31-18-5-6-23(20(27)8-18)35-11-15-3-2-4-17(28)7-15/h2-10,14,16H,11-13H2,1H3,(H,32,33)(H,29,30,31)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373725
PNG
(US10246444, Example 98)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m0/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373698
PNG
(US10246444, Example 34)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(CSC(C)=O)CSC(C)=O
Show InChI InChI=1S/C33H30ClFN4O5S2/c1-4-43-31-13-28-26(12-29(31)39-33(42)23(17-45-19(2)40)18-46-20(3)41)32(22(14-36)15-37-28)38-25-8-9-30(27(34)11-25)44-16-21-6-5-7-24(35)10-21/h5-13,15,23H,4,16-18H2,1-3H3,(H,37,38)(H,39,42)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373718
PNG
(US10246444, Example 44)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C33H32ClFN4O3S2/c1-2-41-31-17-28-26(16-29(31)39-32(40)9-4-3-8-25-12-13-43-44-25)33(22(18-36)19-37-28)38-24-10-11-30(27(34)15-24)42-20-21-6-5-7-23(35)14-21/h5-7,10-11,14-17,19,25H,2-4,8-9,12-13,20H2,1H3,(H,37,38)(H,39,40)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373704
PNG
(US10246444, Example 81)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m1/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))		BDBM373712
PNG
(US10246444, Example 92)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m0/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373725
PNG
(US10246444, Example 98)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m0/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373721
PNG
(US10246444, Example 60)
Show SMILES CC(=O)SCC(CSC(C)=O)C(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C31H26ClFN4O4S2/c1-18(38)42-16-22(17-43-19(2)39)31(40)37-24-6-8-28-26(11-24)30(21(13-34)14-35-28)36-25-7-9-29(27(32)12-25)41-15-20-4-3-5-23(33)10-20/h3-12,14,22H,15-17H2,1-2H3,(H,35,36)(H,37,40)
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Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373728
PNG
(US10246444, Example 109)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(CSC(N)=O)CSC(N)=O
Show InChI InChI=1S/C28H26ClFN6O5S2/c1-40-24-10-21-19(9-22(24)36-26(37)16(12-42-27(31)38)13-43-28(32)39)25(34-14-33-21)35-18-5-6-23(20(29)8-18)41-11-15-3-2-4-17(30)7-15/h2-10,14,16H,11-13H2,1H3,(H2,31,38)(H2,32,39)(H,36,37)(H,33,34,35)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373729
PNG
(US10246444, Example 110)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C26H22ClFN4O3S2/c1-34-24-10-21-19(9-22(24)32-26(33)16-12-36-37-13-16)25(30-14-29-21)31-18-5-6-23(20(27)8-18)35-11-15-3-2-4-17(28)7-15/h2-10,14,16H,11-13H2,1H3,(H,32,33)(H,29,30,31)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))		BDBM373722
PNG
(US10246444, Example 62)
Show SMILES Fc1cccc(COc2ccc(Nc3c(cnc4ccc(NC(=O)CC5CCSS5)cc34)C#N)cc2Cl)c1
Show InChI InChI=1S/C28H22ClFN4O2S2/c29-24-12-21(5-7-26(24)36-16-17-2-1-3-19(30)10-17)34-28-18(14-31)15-32-25-6-4-20(11-23(25)28)33-27(35)13-22-8-9-37-38-22/h1-7,10-12,15,22H,8-9,13,16H2,(H,32,34)(H,33,35)
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Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373712
PNG
(US10246444, Example 92)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m0/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373606
PNG
(US10246444, Example 33)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C1CCSS1
Show InChI InChI=1S/C22H18ClFN4O2S2/c1-2-30-19-9-17-14(8-18(19)28-22(29)20-5-6-31-32-20)21(12(10-25)11-26-17)27-13-3-4-16(24)15(23)7-13/h3-4,7-9,11,20H,2,5-6H2,1H3,(H,26,27)(H,28,29)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373728
PNG
(US10246444, Example 109)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(CSC(N)=O)CSC(N)=O
Show InChI InChI=1S/C28H26ClFN6O5S2/c1-40-24-10-21-19(9-22(24)36-26(37)16(12-42-27(31)38)13-43-28(32)39)25(34-14-33-21)35-18-5-6-23(20(29)8-18)41-11-15-3-2-4-17(30)7-15/h2-10,14,16H,11-13H2,1H3,(H2,31,38)(H2,32,39)(H,36,37)(H,33,34,35)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373723
PNG
(US10246444, Example 90)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373700
PNG
(US10246444, Example 36)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C29H24ClFN4O3S2/c1-2-37-27-11-24-22(10-25(27)35-29(36)19-15-39-40-16-19)28(18(12-32)13-33-24)34-21-6-7-26(23(30)9-21)38-14-17-4-3-5-20(31)8-17/h3-11,13,19H,2,14-16H2,1H3,(H,33,34)(H,35,36)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373711
PNG
(US10246444, Example 40)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C30H26ClFN4O3S2/c1-2-38-28-14-25-23(13-26(28)36-29(37)12-22-8-9-40-41-22)30(19(15-33)16-34-25)35-21-6-7-27(24(31)11-21)39-17-18-4-3-5-20(32)10-18/h3-7,10-11,13-14,16,22H,2,8-9,12,17H2,1H3,(H,34,35)(H,36,37)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373705
PNG
(US10246444, Example 82)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23?/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373725
PNG
(US10246444, Example 98)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m0/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373727
PNG
(US10246444, Example 105)
Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C27H27N5O3S2/c1-16-10-18(5-7-24(16)35-19-6-4-17(2)28-14-19)31-27-21-12-23(25(34-3)13-22(21)29-15-30-27)32-26(33)11-20-8-9-36-37-20/h4-7,10,12-15,20H,8-9,11H2,1-3H3,(H,32,33)(H,29,30,31)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))		BDBM373723
PNG
(US10246444, Example 90)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m1/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373724
PNG
(US10246444, Example 95)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m1/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373722
PNG
(US10246444, Example 62)
Show SMILES Fc1cccc(COc2ccc(Nc3c(cnc4ccc(NC(=O)CC5CCSS5)cc34)C#N)cc2Cl)c1
Show InChI InChI=1S/C28H22ClFN4O2S2/c29-24-12-21(5-7-26(24)36-16-17-2-1-3-19(30)10-17)34-28-18(14-31)15-32-25-6-4-20(11-23(25)28)33-27(35)13-22-8-9-37-38-22/h1-7,10-12,15,22H,8-9,13,16H2,(H,32,34)(H,33,35)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373723
PNG
(US10246444, Example 90)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m1/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373712
PNG
(US10246444, Example 92)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m0/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373709
PNG
(US10246444, Example 86)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23+/m0/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373714
PNG
(US10246444, Example 31)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C22H18ClFN4O2S2/c1-2-30-20-7-18-15(6-19(20)28-22(29)13-10-31-32-11-13)21(12(8-25)9-26-18)27-14-3-4-17(24)16(23)5-14/h3-7,9,13H,2,10-11H2,1H3,(H,26,27)(H,28,29)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373700
PNG
(US10246444, Example 36)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C29H24ClFN4O3S2/c1-2-37-27-11-24-22(10-25(27)35-29(36)19-15-39-40-16-19)28(18(12-32)13-33-24)34-21-6-7-26(23(30)9-21)38-14-17-4-3-5-20(31)8-17/h3-11,13,19H,2,14-16H2,1H3,(H,33,34)(H,35,36)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373716
PNG
(US10246444, Example 39)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C23H20ClFN4O2S2/c1-2-31-21-10-19-16(9-20(21)29-22(30)8-15-5-6-32-33-15)23(13(11-26)12-27-19)28-14-3-4-18(25)17(24)7-14/h3-4,7,9-10,12,15H,2,5-6,8H2,1H3,(H,27,28)(H,29,30)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373704
PNG
(US10246444, Example 81)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m1/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373708
PNG
(US10246444, Example 85)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373709
PNG
(US10246444, Example 86)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23+/m0/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373723
PNG
(US10246444, Example 90)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m1/s1
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373724
PNG
(US10246444, Example 95)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373713
PNG
(US10246444, Example 29)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(CSC(C)=O)CSC(C)=O
Show InChI InChI=1S/C26H24ClFN4O4S2/c1-4-36-24-9-22-19(8-23(24)32-26(35)17(12-37-14(2)33)13-38-15(3)34)25(16(10-29)11-30-22)31-18-5-6-21(28)20(27)7-18/h5-9,11,17H,4,12-13H2,1-3H3,(H,30,31)(H,32,35)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373714
PNG
(US10246444, Example 31)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C22H18ClFN4O2S2/c1-2-30-20-7-18-15(6-19(20)28-22(29)13-10-31-32-11-13)21(12(8-25)9-26-18)27-14-3-4-17(24)16(23)5-14/h3-7,9,13H,2,10-11H2,1H3,(H,26,27)(H,28,29)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373705
PNG
(US10246444, Example 82)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23?/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373712
PNG
(US10246444, Example 92)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373724
PNG
(US10246444, Example 95)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373725
PNG
(US10246444, Example 98)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373723
PNG
(US10246444, Example 90)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373725
PNG
(US10246444, Example 98)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373714
PNG
(US10246444, Example 31)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C22H18ClFN4O2S2/c1-2-30-20-7-18-15(6-19(20)28-22(29)13-10-31-32-11-13)21(12(8-25)9-26-18)27-14-3-4-17(24)16(23)5-14/h3-7,9,13H,2,10-11H2,1H3,(H,26,27)(H,28,29)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373721
PNG
(US10246444, Example 60)
Show SMILES CC(=O)SCC(CSC(C)=O)C(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C31H26ClFN4O4S2/c1-18(38)42-16-22(17-43-19(2)39)31(40)37-24-6-8-28-26(11-24)30(21(13-34)14-35-28)36-25-7-9-29(27(32)12-25)41-15-20-4-3-5-23(33)10-20/h3-12,14,22H,15-17H2,1-2H3,(H,35,36)(H,37,40)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR E746-A750del


(Homo sapiens (Human))		BDBM373725
PNG
(US10246444, Example 98)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373711
PNG
(US10246444, Example 40)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C30H26ClFN4O3S2/c1-2-38-28-14-25-23(13-26(28)36-29(37)12-22-8-9-40-41-22)30(19(15-33)16-34-25)35-21-6-7-27(24(31)11-21)39-17-18-4-3-5-20(32)10-18/h3-7,10-11,13-14,16,22H,2,8-9,12,17H2,1H3,(H,34,35)(H,36,37)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373717
PNG
(US10246444, Example 43)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C26H26ClFN4O2S2/c1-2-34-24-13-22-19(12-23(24)32-25(33)6-4-3-5-18-9-10-35-36-18)26(16(14-29)15-30-22)31-17-7-8-21(28)20(27)11-17/h7-8,11-13,15,18H,2-6,9-10H2,1H3,(H,30,31)(H,32,33)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373727
PNG
(US10246444, Example 105)
Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C27H27N5O3S2/c1-16-10-18(5-7-24(16)35-19-6-4-17(2)28-14-19)31-27-21-12-23(25(34-3)13-22(21)29-15-30-27)32-26(33)11-20-8-9-36-37-20/h4-7,10,12-15,20H,8-9,11H2,1-3H3,(H,32,33)(H,29,30,31)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))		BDBM373730
PNG
(US10246444, Example 61)
Show SMILES Fc1cccc(COc2ccc(Nc3c(cnc4ccc(NC(=O)C5CSSC5)cc34)C#N)cc2Cl)c1
Show InChI InChI=1S/C27H20ClFN4O2S2/c28-23-10-21(5-7-25(23)35-13-16-2-1-3-19(29)8-16)32-26-17(11-30)12-31-24-6-4-20(9-22(24)26)33-27(34)18-14-36-37-15-18/h1-10,12,18H,13-15H2,(H,31,32)(H,33,34)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373712
PNG
(US10246444, Example 92)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373717
PNG
(US10246444, Example 43)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C26H26ClFN4O2S2/c1-2-34-24-13-22-19(12-23(24)32-25(33)6-4-3-5-18-9-10-35-36-18)26(16(14-29)15-30-22)31-17-7-8-21(28)20(27)11-17/h7-8,11-13,15,18H,2-6,9-10H2,1H3,(H,30,31)(H,32,33)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373705
PNG
(US10246444, Example 82)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23?/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373726
PNG
(US10246444, Example 104)
Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C26H25N5O3S2/c1-15-8-18(5-7-23(15)34-19-6-4-16(2)27-11-19)30-25-20-9-22(31-26(32)17-12-35-36-13-17)24(33-3)10-21(20)28-14-29-25/h4-11,14,17H,12-13H2,1-3H3,(H,31,32)(H,28,29,30)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373712
PNG
(US10246444, Example 92)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373698
PNG
(US10246444, Example 34)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(CSC(C)=O)CSC(C)=O
Show InChI InChI=1S/C33H30ClFN4O5S2/c1-4-43-31-13-28-26(12-29(31)39-33(42)23(17-45-19(2)40)18-46-20(3)41)32(22(14-36)15-37-28)38-25-8-9-30(27(34)11-25)44-16-21-6-5-7-24(35)10-21/h5-13,15,23H,4,16-18H2,1-3H3,(H,37,38)(H,39,42)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373722
PNG
(US10246444, Example 62)
Show SMILES Fc1cccc(COc2ccc(Nc3c(cnc4ccc(NC(=O)CC5CCSS5)cc34)C#N)cc2Cl)c1
Show InChI InChI=1S/C28H22ClFN4O2S2/c29-24-12-21(5-7-26(24)36-16-17-2-1-3-19(30)10-17)34-28-18(14-31)15-32-25-6-4-20(11-23(25)28)33-27(35)13-22-8-9-37-38-22/h1-7,10-12,15,22H,8-9,13,16H2,(H,32,34)(H,33,35)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373708
PNG
(US10246444, Example 85)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373712
PNG
(US10246444, Example 92)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373698
PNG
(US10246444, Example 34)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(CSC(C)=O)CSC(C)=O
Show InChI InChI=1S/C33H30ClFN4O5S2/c1-4-43-31-13-28-26(12-29(31)39-33(42)23(17-45-19(2)40)18-46-20(3)41)32(22(14-36)15-37-28)38-25-8-9-30(27(34)11-25)44-16-21-6-5-7-24(35)10-21/h5-13,15,23H,4,16-18H2,1-3H3,(H,37,38)(H,39,42)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373711
PNG
(US10246444, Example 40)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C30H26ClFN4O3S2/c1-2-38-28-14-25-23(13-26(28)36-29(37)12-22-8-9-40-41-22)30(19(15-33)16-34-25)35-21-6-7-27(24(31)11-21)39-17-18-4-3-5-20(32)10-18/h3-7,10-11,13-14,16,22H,2,8-9,12,17H2,1H3,(H,34,35)(H,36,37)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373717
PNG
(US10246444, Example 43)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCCC1CCSS1
Show InChI InChI=1S/C26H26ClFN4O2S2/c1-2-34-24-13-22-19(12-23(24)32-25(33)6-4-3-5-18-9-10-35-36-18)26(16(14-29)15-30-22)31-17-7-8-21(28)20(27)11-17/h7-8,11-13,15,18H,2-6,9-10H2,1H3,(H,30,31)(H,32,33)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373704
PNG
(US10246444, Example 81)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373726
PNG
(US10246444, Example 104)
Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C26H25N5O3S2/c1-15-8-18(5-7-23(15)34-19-6-4-16(2)27-11-19)30-25-20-9-22(31-26(32)17-12-35-36-13-17)24(33-3)10-21(20)28-14-29-25/h4-11,14,17H,12-13H2,1-3H3,(H,31,32)(H,28,29,30)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373726
PNG
(US10246444, Example 104)
Show SMILES COc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C26H25N5O3S2/c1-15-8-18(5-7-23(15)34-19-6-4-16(2)27-11-19)30-25-20-9-22(31-26(32)17-12-35-36-13-17)24(33-3)10-21(20)28-14-29-25/h4-11,14,17H,12-13H2,1-3H3,(H,31,32)(H,28,29,30)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373700
PNG
(US10246444, Example 36)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C29H24ClFN4O3S2/c1-2-37-27-11-24-22(10-25(27)35-29(36)19-15-39-40-16-19)28(18(12-32)13-33-24)34-21-6-7-26(23(30)9-21)38-14-17-4-3-5-20(31)8-17/h3-11,13,19H,2,14-16H2,1H3,(H,33,34)(H,35,36)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373709
PNG
(US10246444, Example 86)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23+/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373723
PNG
(US10246444, Example 90)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR E746-A750del


(Homo sapiens (Human))		BDBM373723
PNG
(US10246444, Example 90)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR E746-A750del


(Homo sapiens (Human))		BDBM373712
PNG
(US10246444, Example 92)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373715
PNG
(US10246444, Example 38)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CC(CCSCc1ccccc1)SCc1ccccc1
Show InChI InChI=1S/C37H34ClFN4O2S2/c1-2-45-35-20-33-30(37(27(21-40)22-41-33)42-28-13-14-32(39)31(38)17-28)19-34(35)43-36(44)18-29(47-24-26-11-7-4-8-12-26)15-16-46-23-25-9-5-3-6-10-25/h3-14,17,19-20,22,29H,2,15-16,18,23-24H2,1H3,(H,41,42)(H,43,44)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR E746-A750del


(Homo sapiens (Human))		BDBM373724
PNG
(US10246444, Example 95)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C30H26ClFN4O5S2/c31-24-7-21(4-5-27(24)40-13-17-2-1-3-20(32)6-17)35-29-18(10-33)11-34-25-9-28(41-14-22(38)12-37)26(8-23(25)29)36-30(39)19-15-42-43-16-19/h1-9,11,19,22,37-38H,12-16H2,(H,34,35)(H,36,39)/t22-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373719
PNG
(US10246444, Example 55)
Show SMILES Cc1ccc(Oc2ccc(Nc3c(cnc4ccc(NC(=O)CC5CCSS5)cc34)C#N)cc2C)cn1
Show InChI InChI=1S/C28H25N5O2S2/c1-17-11-20(5-8-26(17)35-22-6-3-18(2)30-16-22)33-28-19(14-29)15-31-25-7-4-21(12-24(25)28)32-27(34)13-23-9-10-36-37-23/h3-8,11-12,15-16,23H,9-10,13H2,1-2H3,(H,31,33)(H,32,34)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM373719
PNG
(US10246444, Example 55)
Show SMILES Cc1ccc(Oc2ccc(Nc3c(cnc4ccc(NC(=O)CC5CCSS5)cc34)C#N)cc2C)cn1
Show InChI InChI=1S/C28H25N5O2S2/c1-17-11-20(5-8-26(17)35-22-6-3-18(2)30-16-22)33-28-19(14-29)15-31-25-7-4-21(12-24(25)28)32-27(34)13-23-9-10-36-37-23/h3-8,11-12,15-16,23H,9-10,13H2,1-2H3,(H,31,33)(H,32,34)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373720
PNG
(US10246444, Example 58)
Show SMILES CC(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C25H18ClFN4O2/c1-15(32)30-19-5-7-23-21(10-19)25(17(12-28)13-29-23)31-20-6-8-24(22(26)11-20)33-14-16-3-2-4-18(27)9-16/h2-11,13H,14H2,1H3,(H,29,31)(H,30,32)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373719
PNG
(US10246444, Example 55)
Show SMILES Cc1ccc(Oc2ccc(Nc3c(cnc4ccc(NC(=O)CC5CCSS5)cc34)C#N)cc2C)cn1
Show InChI InChI=1S/C28H25N5O2S2/c1-17-11-20(5-8-26(17)35-22-6-3-18(2)30-16-22)33-28-19(14-29)15-31-25-7-4-21(12-24(25)28)32-27(34)13-23-9-10-36-37-23/h3-8,11-12,15-16,23H,9-10,13H2,1-2H3,(H,31,33)(H,32,34)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373700
PNG
(US10246444, Example 36)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C29H24ClFN4O3S2/c1-2-37-27-11-24-22(10-25(27)35-29(36)19-15-39-40-16-19)28(18(12-32)13-33-24)34-21-6-7-26(23(30)9-21)38-14-17-4-3-5-20(31)8-17/h3-11,13,19H,2,14-16H2,1H3,(H,33,34)(H,35,36)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373704
PNG
(US10246444, Example 81)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373706
PNG
(US10246444, Example 84 isomer 1)
Show SMILES CC1(C)OC[C@@H](COc2cc3ncc(C#N)c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)CC2CCSS2)O1
Show InChI InChI=1S/C34H32ClFN4O5S2/c1-34(2)44-19-24(45-34)18-43-31-14-28-26(13-29(31)40-32(41)12-25-8-9-46-47-25)33(21(15-37)16-38-28)39-23-6-7-30(27(35)11-23)42-17-20-4-3-5-22(36)10-20/h3-7,10-11,13-14,16,24-25H,8-9,12,17-19H2,1-2H3,(H,38,39)(H,40,41)/t24-,25?/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373709
PNG
(US10246444, Example 86)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23+/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR S752-I759del


(Homo sapiens (Human))		BDBM373698
PNG
(US10246444, Example 34)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(CSC(C)=O)CSC(C)=O
Show InChI InChI=1S/C33H30ClFN4O5S2/c1-4-43-31-13-28-26(12-29(31)39-33(42)23(17-45-19(2)40)18-46-20(3)41)32(22(14-36)15-37-28)38-25-8-9-30(27(34)11-25)44-16-21-6-5-7-24(35)10-21/h5-13,15,23H,4,16-18H2,1-3H3,(H,37,38)(H,39,42)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR E746-A750del


(Homo sapiens (Human))		BDBM373712
PNG
(US10246444, Example 92)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGF-R Tyrosine Kinase Mutant (G719C)


(Homo sapiens (Human))		BDBM373711
PNG
(US10246444, Example 40)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C30H26ClFN4O3S2/c1-2-38-28-14-25-23(13-26(28)36-29(37)12-22-8-9-40-41-22)30(19(15-33)16-34-25)35-21-6-7-27(24(31)11-21)39-17-18-4-3-5-20(32)10-18/h3-7,10-11,13-14,16,22H,2,8-9,12,17H2,1H3,(H,34,35)(H,36,37)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR (L861Q)


(Homo sapiens (Human))		BDBM373711
PNG
(US10246444, Example 40)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C30H26ClFN4O3S2/c1-2-38-28-14-25-23(13-26(28)36-29(37)12-22-8-9-40-41-22)30(19(15-33)16-34-25)35-21-6-7-27(24(31)11-21)39-17-18-4-3-5-20(32)10-18/h3-7,10-11,13-14,16,22H,2,8-9,12,17H2,1H3,(H,34,35)(H,36,37)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EFGR (L747-E749del, A750P)


(Homo sapiens (Human))		BDBM373711
PNG
(US10246444, Example 40)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C30H26ClFN4O3S2/c1-2-38-28-14-25-23(13-26(28)36-29(37)12-22-8-9-40-41-22)30(19(15-33)16-34-25)35-21-6-7-27(24(31)11-21)39-17-18-4-3-5-20(32)10-18/h3-7,10-11,13-14,16,22H,2,8-9,12,17H2,1H3,(H,34,35)(H,36,37)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373702
PNG
(US10246444, Example 80 isomer 1)
Show SMILES CC1(C)OC[C@H](COc2cc3ncc(C#N)c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)C[C@@H]2CCSS2)O1
Show InChI InChI=1S/C34H32ClFN4O5S2/c1-34(2)44-19-24(45-34)18-43-31-14-28-26(13-29(31)40-32(41)12-25-8-9-46-47-25)33(21(15-37)16-38-28)39-23-6-7-30(27(35)11-23)42-17-20-4-3-5-22(36)10-20/h3-7,10-11,13-14,16,24-25H,8-9,12,17-19H2,1-2H3,(H,38,39)(H,40,41)/t24-,25-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373706
PNG
(US10246444, Example 84 isomer 1)
Show SMILES CC1(C)OC[C@@H](COc2cc3ncc(C#N)c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)CC2CCSS2)O1
Show InChI InChI=1S/C34H32ClFN4O5S2/c1-34(2)44-19-24(45-34)18-43-31-14-28-26(13-29(31)40-32(41)12-25-8-9-46-47-25)33(21(15-37)16-38-28)39-23-6-7-30(27(35)11-23)42-17-20-4-3-5-22(36)10-20/h3-7,10-11,13-14,16,24-25H,8-9,12,17-19H2,1-2H3,(H,38,39)(H,40,41)/t24-,25?/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373708
PNG
(US10246444, Example 85)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))		BDBM373709
PNG
(US10246444, Example 86)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23+/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR E746-A750del


(Homo sapiens (Human))		BDBM373709
PNG
(US10246444, Example 86)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23+/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR L747-S752del, P753S


(Homo sapiens (Human))		BDBM373711
PNG
(US10246444, Example 40)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C30H26ClFN4O3S2/c1-2-38-28-14-25-23(13-26(28)36-29(37)12-22-8-9-40-41-22)30(19(15-33)16-34-25)35-21-6-7-27(24(31)11-21)39-17-18-4-3-5-20(32)10-18/h3-7,10-11,13-14,16,22H,2,8-9,12,17H2,1H3,(H,34,35)(H,36,37)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373700
PNG
(US10246444, Example 36)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C29H24ClFN4O3S2/c1-2-37-27-11-24-22(10-25(27)35-29(36)19-15-39-40-16-19)28(18(12-32)13-33-24)34-21-6-7-26(23(30)9-21)38-14-17-4-3-5-20(31)8-17/h3-11,13,19H,2,14-16H2,1H3,(H,33,34)(H,35,36)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR E746-A750del


(Homo sapiens (Human))		BDBM373700
PNG
(US10246444, Example 36)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C29H24ClFN4O3S2/c1-2-37-27-11-24-22(10-25(27)35-29(36)19-15-39-40-16-19)28(18(12-32)13-33-24)34-21-6-7-26(23(30)9-21)38-14-17-4-3-5-20(31)8-17/h3-11,13,19H,2,14-16H2,1H3,(H,33,34)(H,35,36)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR E746-A750del


(Homo sapiens (Human))		BDBM373711
PNG
(US10246444, Example 40)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C30H26ClFN4O3S2/c1-2-38-28-14-25-23(13-26(28)36-29(37)12-22-8-9-40-41-22)30(19(15-33)16-34-25)35-21-6-7-27(24(31)11-21)39-17-18-4-3-5-20(32)10-18/h3-7,10-11,13-14,16,22H,2,8-9,12,17H2,1H3,(H,34,35)(H,36,37)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR E746-A750del


(Homo sapiens (Human))		BDBM373705
PNG
(US10246444, Example 82)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23?/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR S752-I759del


(Homo sapiens (Human))		BDBM373712
PNG
(US10246444, Example 92)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CSSC1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-8-22(4-5-28(25)41-14-18-2-1-3-21(33)6-18)36-31-20(11-34)12-35-26-10-29(42-15-23(39)13-38)27(9-24(26)31)37-30(40)7-19-16-43-44-17-19/h1-6,8-10,12,19,23,38-39H,7,13-17H2,(H,35,36)(H,37,40)/t23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373709
PNG
(US10246444, Example 86)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23+/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR S752-I759del


(Homo sapiens (Human))		BDBM373704
PNG
(US10246444, Example 81)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR L747-T750del


(Homo sapiens (Human))		BDBM373711
PNG
(US10246444, Example 40)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C30H26ClFN4O3S2/c1-2-38-28-14-25-23(13-26(28)36-29(37)12-22-8-9-40-41-22)30(19(15-33)16-34-25)35-21-6-7-27(24(31)11-21)39-17-18-4-3-5-20(32)10-18/h3-7,10-11,13-14,16,22H,2,8-9,12,17H2,1H3,(H,34,35)(H,36,37)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373698
PNG
(US10246444, Example 34)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(CSC(C)=O)CSC(C)=O
Show InChI InChI=1S/C33H30ClFN4O5S2/c1-4-43-31-13-28-26(12-29(31)39-33(42)23(17-45-19(2)40)18-46-20(3)41)32(22(14-36)15-37-28)38-25-8-9-30(27(34)11-25)44-16-21-6-5-7-24(35)10-21/h5-13,15,23H,4,16-18H2,1-3H3,(H,37,38)(H,39,42)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373698
PNG
(US10246444, Example 34)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(CSC(C)=O)CSC(C)=O
Show InChI InChI=1S/C33H30ClFN4O5S2/c1-4-43-31-13-28-26(12-29(31)39-33(42)23(17-45-19(2)40)18-46-20(3)41)32(22(14-36)15-37-28)38-25-8-9-30(27(34)11-25)44-16-21-6-5-7-24(35)10-21/h5-13,15,23H,4,16-18H2,1-3H3,(H,37,38)(H,39,42)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373701
PNG
(US10246444, Example 79 | US10246444, Example 84 is...)
Show SMILES CC1(C)OC[C@H](COc2cc3ncc(C#N)c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)CC2CCSS2)O1
Show InChI InChI=1S/C34H32ClFN4O5S2/c1-34(2)44-19-24(45-34)18-43-31-14-28-26(13-29(31)40-32(41)12-25-8-9-46-47-25)33(21(15-37)16-38-28)39-23-6-7-30(27(35)11-23)42-17-20-4-3-5-22(36)10-20/h3-7,10-11,13-14,16,24-25H,8-9,12,17-19H2,1-2H3,(H,38,39)(H,40,41)/t24-,25?/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373710
PNG
(US10246444, Example 94)
Show SMILES CC(=O)SCC(CSC(C)=O)C(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c(cnc2cc1OC[C@H](O)CO)C#N
Show InChI InChI=1S/C34H32ClFN4O7S2/c1-19(42)48-17-23(18-49-20(2)43)34(45)40-30-10-27-29(11-32(30)47-16-26(44)14-41)38-13-22(12-37)33(27)39-25-6-7-31(28(35)9-25)46-15-21-4-3-5-24(36)8-21/h3-11,13,23,26,41,44H,14-18H2,1-2H3,(H,38,39)(H,40,45)/t26-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373710
PNG
(US10246444, Example 94)
Show SMILES CC(=O)SCC(CSC(C)=O)C(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c(cnc2cc1OC[C@H](O)CO)C#N
Show InChI InChI=1S/C34H32ClFN4O7S2/c1-19(42)48-17-23(18-49-20(2)43)34(45)40-30-10-27-29(11-32(30)47-16-26(44)14-41)38-13-22(12-37)33(27)39-25-6-7-31(28(35)9-25)46-15-21-4-3-5-24(36)8-21/h3-11,13,23,26,41,44H,14-18H2,1-2H3,(H,38,39)(H,40,45)/t26-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))		BDBM373711
PNG
(US10246444, Example 40)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C30H26ClFN4O3S2/c1-2-38-28-14-25-23(13-26(28)36-29(37)12-22-8-9-40-41-22)30(19(15-33)16-34-25)35-21-6-7-27(24(31)11-21)39-17-18-4-3-5-20(32)10-18/h3-7,10-11,13-14,16,22H,2,8-9,12,17H2,1H3,(H,34,35)(H,36,37)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR S752-I759del


(Homo sapiens (Human))		BDBM373711
PNG
(US10246444, Example 40)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C30H26ClFN4O3S2/c1-2-38-28-14-25-23(13-26(28)36-29(37)12-22-8-9-40-41-22)30(19(15-33)16-34-25)35-21-6-7-27(24(31)11-21)39-17-18-4-3-5-20(32)10-18/h3-7,10-11,13-14,16,22H,2,8-9,12,17H2,1H3,(H,34,35)(H,36,37)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR E746-A750del


(Homo sapiens (Human))		BDBM373708
PNG
(US10246444, Example 85)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR S752-I759del


(Homo sapiens (Human))		BDBM373708
PNG
(US10246444, Example 85)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR S752-I759del


(Homo sapiens (Human))		BDBM373709
PNG
(US10246444, Example 86)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23+/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373703
PNG
(US10246444, Example 80 isomer 2)
Show SMILES CC1(C)OC[C@H](COc2cc3ncc(C#N)c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)C[C@H]2CCSS2)O1
Show InChI InChI=1S/C34H32ClFN4O5S2/c1-34(2)44-19-24(45-34)18-43-31-14-28-26(13-29(31)40-32(41)12-25-8-9-46-47-25)33(21(15-37)16-38-28)39-23-6-7-30(27(35)11-23)42-17-20-4-3-5-22(36)10-20/h3-7,10-11,13-14,16,24-25H,8-9,12,17-19H2,1-2H3,(H,38,39)(H,40,41)/t24-,25+/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373705
PNG
(US10246444, Example 82)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23?/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR E746-A750del


(Homo sapiens (Human))		BDBM373698
PNG
(US10246444, Example 34)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(CSC(C)=O)CSC(C)=O
Show InChI InChI=1S/C33H30ClFN4O5S2/c1-4-43-31-13-28-26(12-29(31)39-33(42)23(17-45-19(2)40)18-46-20(3)41)32(22(14-36)15-37-28)38-25-8-9-30(27(34)11-25)44-16-21-6-5-7-24(35)10-21/h5-13,15,23H,4,16-18H2,1-3H3,(H,37,38)(H,39,42)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))		BDBM373700
PNG
(US10246444, Example 36)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C29H24ClFN4O3S2/c1-2-37-27-11-24-22(10-25(27)35-29(36)19-15-39-40-16-19)28(18(12-32)13-33-24)34-21-6-7-26(23(30)9-21)38-14-17-4-3-5-20(31)8-17/h3-11,13,19H,2,14-16H2,1H3,(H,33,34)(H,35,36)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR E746-A750del


(Homo sapiens (Human))		BDBM373704
PNG
(US10246444, Example 81)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR S752-I759del


(Homo sapiens (Human))		BDBM373705
PNG
(US10246444, Example 82)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23?/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR (G719S)


(Homo sapiens (Human))		BDBM373711
PNG
(US10246444, Example 40)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C30H26ClFN4O3S2/c1-2-38-28-14-25-23(13-26(28)36-29(37)12-22-8-9-40-41-22)30(19(15-33)16-34-25)35-21-6-7-27(24(31)11-21)39-17-18-4-3-5-20(32)10-18/h3-7,10-11,13-14,16,22H,2,8-9,12,17H2,1H3,(H,34,35)(H,36,37)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373703
PNG
(US10246444, Example 80 isomer 2)
Show SMILES CC1(C)OC[C@H](COc2cc3ncc(C#N)c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)C[C@H]2CCSS2)O1
Show InChI InChI=1S/C34H32ClFN4O5S2/c1-34(2)44-19-24(45-34)18-43-31-14-28-26(13-29(31)40-32(41)12-25-8-9-46-47-25)33(21(15-37)16-38-28)39-23-6-7-30(27(35)11-23)42-17-20-4-3-5-22(36)10-20/h3-7,10-11,13-14,16,24-25H,8-9,12,17-19H2,1-2H3,(H,38,39)(H,40,41)/t24-,25+/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373705
PNG
(US10246444, Example 82)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23?/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373708
PNG
(US10246444, Example 85)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
EGFR S752-I759del


(Homo sapiens (Human))		BDBM373700
PNG
(US10246444, Example 36)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1
Show InChI InChI=1S/C29H24ClFN4O3S2/c1-2-37-27-11-24-22(10-25(27)35-29(36)19-15-39-40-16-19)28(18(12-32)13-33-24)34-21-6-7-26(23(30)9-21)38-14-17-4-3-5-20(31)8-17/h3-11,13,19H,2,14-16H2,1H3,(H,33,34)(H,35,36)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))		BDBM373705
PNG
(US10246444, Example 82)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23?/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))		BDBM373708
PNG
(US10246444, Example 85)
Show SMILES OC[C@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373606
PNG
(US10246444, Example 33)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C1CCSS1
Show InChI InChI=1S/C22H18ClFN4O2S2/c1-2-30-19-9-17-14(8-18(19)28-22(29)20-5-6-31-32-20)21(12(10-25)11-26-17)27-13-3-4-16(24)15(23)7-13/h3-4,7-9,11,20H,2,5-6H2,1H3,(H,26,27)(H,28,29)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))		BDBM373704
PNG
(US10246444, Example 81)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))		BDBM373698
PNG
(US10246444, Example 34)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C(CSC(C)=O)CSC(C)=O
Show InChI InChI=1S/C33H30ClFN4O5S2/c1-4-43-31-13-28-26(12-29(31)39-33(42)23(17-45-19(2)40)18-46-20(3)41)32(22(14-36)15-37-28)38-25-8-9-30(27(34)11-25)44-16-21-6-5-7-24(35)10-21/h5-13,15,23H,4,16-18H2,1-3H3,(H,37,38)(H,39,42)
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373701
PNG
(US10246444, Example 79 | US10246444, Example 84 is...)
Show SMILES CC1(C)OC[C@H](COc2cc3ncc(C#N)c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)CC2CCSS2)O1
Show InChI InChI=1S/C34H32ClFN4O5S2/c1-34(2)44-19-24(45-34)18-43-31-14-28-26(13-29(31)40-32(41)12-25-8-9-46-47-25)33(21(15-37)16-38-28)39-23-6-7-30(27(35)11-23)42-17-20-4-3-5-22(36)10-20/h3-7,10-11,13-14,16,24-25H,8-9,12,17-19H2,1-2H3,(H,38,39)(H,40,41)/t24-,25?/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373704
PNG
(US10246444, Example 81)
Show SMILES OC[C@@H](O)COc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1
Show InChI InChI=1S/C31H28ClFN4O5S2/c32-25-9-21(4-5-28(25)41-16-18-2-1-3-20(33)8-18)36-31-19(13-34)14-35-26-12-29(42-17-22(39)15-38)27(11-24(26)31)37-30(40)10-23-6-7-43-44-23/h1-5,8-9,11-12,14,22-23,38-39H,6-7,10,15-17H2,(H,35,36)(H,37,40)/t22-,23-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373702
PNG
(US10246444, Example 80 isomer 1)
Show SMILES CC1(C)OC[C@H](COc2cc3ncc(C#N)c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)C[C@@H]2CCSS2)O1
Show InChI InChI=1S/C34H32ClFN4O5S2/c1-34(2)44-19-24(45-34)18-43-31-14-28-26(13-29(31)40-32(41)12-25-8-9-46-47-25)33(21(15-37)16-38-28)39-23-6-7-30(27(35)11-23)42-17-20-4-3-5-22(36)10-20/h3-7,10-11,13-14,16,24-25H,8-9,12,17-19H2,1-2H3,(H,38,39)(H,40,41)/t24-,25-/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))		BDBM373701
PNG
(US10246444, Example 79 | US10246444, Example 84 is...)
Show SMILES CC1(C)OC[C@H](COc2cc3ncc(C#N)c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)CC2CCSS2)O1
Show InChI InChI=1S/C34H32ClFN4O5S2/c1-34(2)44-19-24(45-34)18-43-31-14-28-26(13-29(31)40-32(41)12-25-8-9-46-47-25)33(21(15-37)16-38-28)39-23-6-7-30(27(35)11-23)42-17-20-4-3-5-22(36)10-20/h3-7,10-11,13-14,16,24-25H,8-9,12,17-19H2,1-2H3,(H,38,39)(H,40,41)/t24-,25?/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373606
PNG
(US10246444, Example 33)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C1CCSS1
Show InChI InChI=1S/C22H18ClFN4O2S2/c1-2-30-19-9-17-14(8-18(19)28-22(29)20-5-6-31-32-20)21(12(10-25)11-26-17)27-13-3-4-16(24)15(23)7-13/h3-4,7-9,11,20H,2,5-6H2,1H3,(H,26,27)(H,28,29)
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US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM373701
PNG
(US10246444, Example 79 | US10246444, Example 84 is...)
Show SMILES CC1(C)OC[C@H](COc2cc3ncc(C#N)c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc2NC(=O)CC2CCSS2)O1
Show InChI InChI=1S/C34H32ClFN4O5S2/c1-34(2)44-19-24(45-34)18-43-31-14-28-26(13-29(31)40-32(41)12-25-8-9-46-47-25)33(21(15-37)16-38-28)39-23-6-7-30(27(35)11-23)42-17-20-4-3-5-22(36)10-20/h3-7,10-11,13-14,16,24-25H,8-9,12,17-19H2,1-2H3,(H,38,39)(H,40,41)/t24-,25?/m0/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
KINOMEscan is based on a competition binding assay that quantitatively measures the ability of a compound to compete with an immobilized, active-site...

US Patent US10246444 (2019)


BindingDB Entry DOI: 10.7270/Q2NC63HJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%