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Patent code US9556191

Compile Data Set for Download or QSAR
Found 74 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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM228154
PNG
((S)-5-(4-morpholino-5a,6,8,9-tetrahydro-5H- pyrimi...)
Show SMILES Nc1ncc(cn1)-c1nc2N3CCOC[C@@H]3Cc2c(n1)N1CCOCC1 |r|
Show InChI InChI=1S/C17H21N7O2/c18-17-19-8-11(9-20-17)14-21-15(23-1-4-25-5-2-23)13-7-12-10-26-6-3-24(12)16(13)22-14/h8-9,12H,1-7,10H2,(H2,18,19,20)/t12-/m0/s1
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 8n/a 76n/an/an/an/a7.5n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
N-terminally His-tagged PI3K alpha (Cat. No. PV4789; 0.49 mg/ml), Alexa FluorŪ 647 labeled kinase Tracer 314 (Cat. No. PV6087), Biotin anti-His Tag a...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q22R3TPV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM228156
PNG
((R)-5-(2-morpholino-5a,6,8,9-tetrahydro-5H- pyrimi...)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N3CCOC[C@H]3Cc12)N1CCOCC1 |r|
Show InChI InChI=1S/C17H21N7O2/c18-16-19-8-11(9-20-16)14-13-7-12-10-26-6-3-24(12)15(13)22-17(21-14)23-1-4-25-5-2-23/h8-9,12H,1-7,10H2,(H2,18,19,20)/t12-/m1/s1
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 23n/a 231n/an/an/an/a7.5n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
N-terminally His-tagged PI3K alpha (Cat. No. PV4789; 0.49 mg/ml), Alexa FluorŪ 647 labeled kinase Tracer 314 (Cat. No. PV6087), Biotin anti-His Tag a...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q22R3TPV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM228152
PNG
((R)-5-(4-morpholino-5a,6,8,9-tetrahydro-5H- pyrimi...)
Show SMILES Nc1ncc(cn1)-c1nc2N3CCOC[C@H]3Cc2c(n1)N1CCOCC1 |r|
Show InChI InChI=1S/C17H21N7O2/c18-17-19-8-11(9-20-17)14-21-15(23-1-4-25-5-2-23)13-7-12-10-26-6-3-24(12)16(13)22-14/h8-9,12H,1-7,10H2,(H2,18,19,20)/t12-/m1/s1
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 42n/a 411n/an/an/an/a7.5n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
N-terminally His-tagged PI3K alpha (Cat. No. PV4789; 0.49 mg/ml), Alexa FluorŪ 647 labeled kinase Tracer 314 (Cat. No. PV6087), Biotin anti-His Tag a...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q22R3TPV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM228158
PNG
((S)-5-(2-morpholino-5a,6,8,9-tetrahydro-5H- pyrimi...)
Show SMILES Nc1ncc(cn1)-c1nc(nc2N3CCOC[C@@H]3Cc12)N1CCOCC1 |r|
Show InChI InChI=1S/C17H21N7O2/c18-16-19-8-11(9-20-16)14-13-7-12-10-26-6-3-24(12)15(13)22-17(21-14)23-1-4-25-5-2-23/h8-9,12H,1-7,10H2,(H2,18,19,20)/t12-/m0/s1
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 166n/a 1.64E+3n/an/an/an/a7.5n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
N-terminally His-tagged PI3K alpha (Cat. No. PV4789; 0.49 mg/ml), Alexa FluorŪ 647 labeled kinase Tracer 314 (Cat. No. PV6087), Biotin anti-His Tag a...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q22R3TPV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228128
PNG
((e)-n-(4-((3-chloro-2,4-difluorophenyl)amino)-7-me...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C25H24ClF2N5O4/c1-35-19-10-17-14(25(30-13-29-17)32-16-5-4-15(27)23(26)24(16)28)9-18(19)31-22(34)3-2-6-33-11-20-21(12-33)37-8-7-36-20/h2-5,9-10,13,20-21H,6-8,11-12H2,1H3,(H,31,34)(H,29,30,32)/b3-2+/t20-,21+
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n/an/a 0.900n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228125
PNG
((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-et...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C26H26Cl2FN5O4/c1-2-36-20-11-18-15(26(31-14-30-18)33-17-6-5-16(27)24(28)25(17)29)10-19(20)32-23(35)4-3-7-34-12-21-22(13-34)38-9-8-37-21/h3-6,10-11,14,21-22H,2,7-9,12-13H2,1H3,(H,32,35)(H,30,31,33)/b4-3+/t21-,22+
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n/an/a 1.20n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228126
PNG
((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-(2...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C27H28Cl2FN5O5/c1-37-7-8-38-21-12-19-16(27(32-15-31-19)34-18-5-4-17(28)25(29)26(18)30)11-20(21)33-24(36)3-2-6-35-13-22-23(14-35)40-10-9-39-22/h2-5,11-12,15,22-23H,6-10,13-14H2,1H3,(H,33,36)(H,31,32,34)/b3-2+/t22-,23+
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n/an/a 1.5n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228121
PNG
((e)-n-(7-ethoxy-4-((1-(3-fluorobenzyl)-1h-indazol-...)
Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C34H34FN7O4/c1-2-44-30-16-27-26(15-28(30)40-33(43)7-4-10-41-19-31-32(20-41)46-12-11-45-31)34(37-21-36-27)39-25-8-9-29-23(14-25)17-38-42(29)18-22-5-3-6-24(35)13-22/h3-9,13-17,21,31-32H,2,10-12,18-20H2,1H3,(H,40,43)(H,36,37,39)/b7-4+/t31-,32+
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n/an/a 1.60n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228119
PNG
((e)-n-(4-((1-(3-fluorobenzyl)-1h-indazol-5-yl)amin...)
Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnc5ccc(NC(=O)\C=C\CN6C[C@H]7OCCO[C@H]7C6)cc45)ccc23)c1 |r|
Show InChI InChI=1S/C32H30FN7O3/c33-23-4-1-3-21(13-23)17-40-28-9-7-24(14-22(28)16-36-40)38-32-26-15-25(6-8-27(26)34-20-35-32)37-31(41)5-2-10-39-18-29-30(19-39)43-12-11-42-29/h1-9,13-16,20,29-30H,10-12,17-19H2,(H,37,41)(H,34,35,38)/b5-2+/t29-,30+
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n/an/a 1.60n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228117
PNG
((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C32H33ClN6O5/c1-2-41-28-16-25-23(15-26(28)38-31(40)7-5-11-39-17-29-30(18-39)43-13-12-42-29)32(36-20-35-25)37-21-8-9-27(24(33)14-21)44-19-22-6-3-4-10-34-22/h3-10,14-16,20,29-30H,2,11-13,17-19H2,1H3,(H,38,40)(H,35,36,37)/b7-5+/t29-,30+
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n/an/a 1.70n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228111
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(2-met...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C27H29ClFN5O5/c1-36-7-8-37-23-13-21-18(27(31-16-30-21)32-17-4-5-20(29)19(28)11-17)12-22(23)33-26(35)3-2-6-34-14-24-25(15-34)39-10-9-38-24/h2-5,11-13,16,24-25H,6-10,14-15H2,1H3,(H,33,35)(H,30,31,32)/b3-2+/t24-,25+
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n/an/a 1.80n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228116
PNG
((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C31H31ClN6O5/c1-40-27-15-24-22(14-25(27)37-30(39)6-4-10-38-16-28-29(17-38)42-12-11-41-28)31(35-19-34-24)36-20-7-8-26(23(32)13-20)43-18-21-5-2-3-9-33-21/h2-9,13-15,19,28-29H,10-12,16-18H2,1H3,(H,37,39)(H,34,35,36)/b6-4+/t28-,29+
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n/an/a 1.80n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228115
PNG
((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...)
Show SMILES Clc1cc(Nc2ncnc3ccc(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)ccc1OCc1ccccn1 |r|
Show InChI InChI=1S/C30H29ClN6O4/c31-24-15-21(7-9-26(24)41-18-22-4-1-2-10-32-22)36-30-23-14-20(6-8-25(23)33-19-34-30)35-29(38)5-3-11-37-16-27-28(17-37)40-13-12-39-27/h1-10,14-15,19,27-28H,11-13,16-18H2,(H,35,38)(H,33,34,36)/b5-3+/t27-,28+
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n/an/a 1.90n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228124
PNG
((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-me...)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C25H24Cl2FN5O4/c1-35-19-10-17-14(25(30-13-29-17)32-16-5-4-15(26)23(27)24(16)28)9-18(19)31-22(34)3-2-6-33-11-20-21(12-33)37-8-7-36-20/h2-5,9-10,13,20-21H,6-8,11-12H2,1H3,(H,31,34)(H,29,30,32)/b3-2+/t20-,21+
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n/an/a 2.10n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228120
PNG
((e)-n-(4-((1-(3-fluorobenzyl)-1h-indazol-5-yl)amin...)
Show SMILES COc1cc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C33H32FN7O4/c1-43-29-15-26-25(14-27(29)39-32(42)6-3-9-40-18-30-31(19-40)45-11-10-44-30)33(36-20-35-26)38-24-7-8-28-22(13-24)16-37-41(28)17-21-4-2-5-23(34)12-21/h2-8,12-16,20,30-31H,9-11,17-19H2,1H3,(H,39,42)(H,35,36,38)/b6-3+/t30-,31+
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n/an/a 2.20n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228118
PNG
((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...)
Show SMILES Clc1cc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)ccc1OCc1ccccn1 |r|
Show InChI InChI=1S/C34H35ClN6O6/c35-26-14-22(6-7-29(26)46-19-23-4-1-2-9-36-23)39-34-25-15-28(30(16-27(25)37-21-38-34)47-24-8-11-43-20-24)40-33(42)5-3-10-41-17-31-32(18-41)45-13-12-44-31/h1-7,9,14-16,21,24,31-32H,8,10-13,17-20H2,(H,40,42)(H,37,38,39)/b5-3+/t24-,31-,32+/m0/s1
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n/an/a 2.5n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228107
PNG
( (E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-metho...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1
Show InChI InChI=1S/C25H25ClFN5O4/c1-34-21-11-19-16(25(29-14-28-19)30-15-4-5-18(27)17(26)9-15)10-20(21)31-24(33)3-2-6-32-12-22-23(13-32)36-8-7-35-22/h2-5,9-11,14,22-23H,6-8,12-13H2,1H3,(H,31,33)(H,28,29,30)/b3-2+/t22-,23+
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n/an/a 3.20n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228127
PNG
((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-((...)
Show SMILES Fc1c(Cl)c(Cl)ccc1Nc1ncnc2cc(O[C@H]3CCOC3)c(NC(=O)\C=C\CN3C[C@H]4OCCO[C@H]4C3)cc12 |r|
Show InChI InChI=1S/C28H28Cl2FN5O5/c29-18-3-4-19(27(31)26(18)30)35-28-17-10-21(22(11-20(17)32-15-33-28)41-16-5-7-38-14-16)34-25(37)2-1-6-36-12-23-24(13-36)40-9-8-39-23/h1-4,10-11,15-16,23-24H,5-9,12-14H2,(H,34,37)(H,32,33,35)/b2-1+/t16-,23-,24+/m0/s1
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n/an/a 3.30n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228114
PNG
((e)-n-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)...)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)\C=C\CN5C[C@H]6OCCO[C@H]6C5)cc34)cc2Cl)c1 |r|
Show InChI InChI=1S/C31H29ClFN5O4/c32-25-15-23(7-9-27(25)42-18-20-3-1-4-21(33)13-20)37-31-24-14-22(6-8-26(24)34-19-35-31)36-30(39)5-2-10-38-16-28-29(17-38)41-12-11-40-28/h1-9,13-15,19,28-29H,10-12,16-18H2,(H,36,39)(H,34,35,37)/b5-2+/t28-,29+
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n/an/a 3.5n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228110
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(((s)-...)
Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)cc1Cl |r|
Show InChI InChI=1S/C28H29ClFN5O5/c29-20-10-17(3-4-21(20)30)33-28-19-11-23(24(12-22(19)31-16-32-28)40-18-5-7-37-15-18)34-27(36)2-1-6-35-13-25-26(14-35)39-9-8-38-25/h1-4,10-12,16,18,25-26H,5-9,13-15H2,(H,34,36)(H,31,32,33)/b2-1+/t18-,25-,26+/m0/s1
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n/an/a 3.60n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228122
PNG
((e)-n-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)...)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C32H31ClFN5O5/c1-41-28-15-25-23(14-26(28)38-31(40)6-3-9-39-16-29-30(17-39)43-11-10-42-29)32(36-19-35-25)37-22-7-8-27(24(33)13-22)44-18-20-4-2-5-21(34)12-20/h2-8,12-15,19,29-30H,9-11,16-18H2,1H3,(H,38,40)(H,35,36,37)/b6-3+/t29-,30+
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n/an/a 3.70n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228125
PNG
((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-et...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C26H26Cl2FN5O4/c1-2-36-20-11-18-15(26(31-14-30-18)33-17-6-5-16(27)24(28)25(17)29)10-19(20)32-23(35)4-3-7-34-12-21-22(13-34)38-9-8-37-21/h3-6,10-11,14,21-22H,2,7-9,12-13H2,1H3,(H,32,35)(H,30,31,33)/b4-3+/t21-,22+
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n/an/a 4n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228117
PNG
((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C32H33ClN6O5/c1-2-41-28-16-25-23(15-26(28)38-31(40)7-5-11-39-17-29-30(18-39)43-13-12-42-29)32(36-20-35-25)37-21-8-9-27(24(33)14-21)44-19-22-6-3-4-10-34-22/h3-10,14-16,20,29-30H,2,11-13,17-19H2,1H3,(H,38,40)(H,35,36,37)/b7-5+/t29-,30+
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n/an/a 4.20n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228108
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-34-21-11-19-16(25(29-14-28-19)30-15-4-5-18(27)17(26)9-15)10-20(21)31-24(33)3-2-6-32-12-22-23(13-32)36-8-7-35-22/h2-5,9-11,14,22-23H,6-8,12-13H2,1H3,(H,31,33)(H,28,29,30)/b3-2+/t22-,23-/m0/s1
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228113
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(metho...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-34-21-11-19-16(25(29-14-28-19)30-15-4-5-18(27)17(26)9-15)10-20(21)31-24(33)3-2-6-32-12-22-23(13-32)36-8-7-35-22/h2-5,9-11,14,22-23H,6-8,12-13H2,1H3,(H,31,33)(H,28,29,30)/b3-2+/t22-,23+
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228126
PNG
((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-(2...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C27H28Cl2FN5O5/c1-37-7-8-38-21-12-19-16(27(32-15-31-19)34-18-5-4-17(28)25(29)26(18)30)11-20(21)33-24(36)3-2-6-35-13-22-23(14-35)40-10-9-39-22/h2-5,11-12,15,22-23H,6-10,13-14H2,1H3,(H,33,36)(H,31,32,34)/b3-2+/t22-,23+
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n/an/a 5n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228118
PNG
((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...)
Show SMILES Clc1cc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)ccc1OCc1ccccn1 |r|
Show InChI InChI=1S/C34H35ClN6O6/c35-26-14-22(6-7-29(26)46-19-23-4-1-2-9-36-23)39-34-25-15-28(30(16-27(25)37-21-38-34)47-24-8-11-43-20-24)40-33(42)5-3-10-41-17-31-32(18-41)45-13-12-44-31/h1-7,9,14-16,21,24,31-32H,8,10-13,17-20H2,(H,40,42)(H,37,38,39)/b5-3+/t24-,31-,32+/m0/s1
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n/an/a 5.90n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228109
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-ethoxy...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C26H27ClFN5O4/c1-2-35-22-12-20-17(26(30-15-29-20)31-16-5-6-19(28)18(27)10-16)11-21(22)32-25(34)4-3-7-33-13-23-24(14-33)37-9-8-36-23/h3-6,10-12,15,23-24H,2,7-9,13-14H2,1H3,(H,32,34)(H,29,30,31)/b4-3+/t23-,24+
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n/an/a 6.20n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228124
PNG
((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-me...)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C25H24Cl2FN5O4/c1-35-19-10-17-14(25(30-13-29-17)32-16-5-4-15(26)23(27)24(16)28)9-18(19)31-22(34)3-2-6-33-11-20-21(12-33)37-8-7-36-20/h2-5,9-10,13,20-21H,6-8,11-12H2,1H3,(H,31,34)(H,29,30,32)/b3-2+/t20-,21+
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n/an/a 6.40n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228109
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-ethoxy...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C26H27ClFN5O4/c1-2-35-22-12-20-17(26(30-15-29-20)31-16-5-6-19(28)18(27)10-16)11-21(22)32-25(34)4-3-7-33-13-23-24(14-33)37-9-8-36-23/h3-6,10-12,15,23-24H,2,7-9,13-14H2,1H3,(H,32,34)(H,29,30,31)/b4-3+/t23-,24+
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228123
PNG
((e)-n-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C33H33ClFN5O5/c1-2-42-29-16-26-24(15-27(29)39-32(41)7-4-10-40-17-30-31(18-40)44-12-11-43-30)33(37-20-36-26)38-23-8-9-28(25(34)14-23)45-19-21-5-3-6-22(35)13-21/h3-9,13-16,20,30-31H,2,10-12,17-19H2,1H3,(H,39,41)(H,36,37,38)/b7-4+/t30-,31+
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SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228110
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(((s)-...)
Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)cc1Cl |r|
Show InChI InChI=1S/C28H29ClFN5O5/c29-20-10-17(3-4-21(20)30)33-28-19-11-23(24(12-22(19)31-16-32-28)40-18-5-7-37-15-18)34-27(36)2-1-6-35-13-25-26(14-35)39-9-8-38-25/h1-4,10-12,16,18,25-26H,5-9,13-15H2,(H,34,36)(H,31,32,33)/b2-1+/t18-,25-,26+/m0/s1
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n/an/a 6.80n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228125
PNG
((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-et...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C26H26Cl2FN5O4/c1-2-36-20-11-18-15(26(31-14-30-18)33-17-6-5-16(27)24(28)25(17)29)10-19(20)32-23(35)4-3-7-34-12-21-22(13-34)38-9-8-37-21/h3-6,10-11,14,21-22H,2,7-9,12-13H2,1H3,(H,32,35)(H,30,31,33)/b4-3+/t21-,22+
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n/an/a 7n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228127
PNG
((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-((...)
Show SMILES Fc1c(Cl)c(Cl)ccc1Nc1ncnc2cc(O[C@H]3CCOC3)c(NC(=O)\C=C\CN3C[C@H]4OCCO[C@H]4C3)cc12 |r|
Show InChI InChI=1S/C28H28Cl2FN5O5/c29-18-3-4-19(27(31)26(18)30)35-28-17-10-21(22(11-20(17)32-15-33-28)41-16-5-7-38-14-16)34-25(37)2-1-6-36-12-23-24(13-36)40-9-8-39-23/h1-4,10-11,15-16,23-24H,5-9,12-14H2,(H,34,37)(H,32,33,35)/b2-1+/t16-,23-,24+/m0/s1
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n/an/a 7n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228120
PNG
((e)-n-(4-((1-(3-fluorobenzyl)-1h-indazol-5-yl)amin...)
Show SMILES COc1cc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C33H32FN7O4/c1-43-29-15-26-25(14-27(29)39-32(42)6-3-9-40-18-30-31(19-40)45-11-10-44-30)33(36-20-35-26)38-24-7-8-28-22(13-24)16-37-41(28)17-21-4-2-5-23(34)12-21/h2-8,12-16,20,30-31H,9-11,17-19H2,1H3,(H,39,42)(H,35,36,38)/b6-3+/t30-,31+
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n/an/a 7.90n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228109
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-ethoxy...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C26H27ClFN5O4/c1-2-35-22-12-20-17(26(30-15-29-20)31-16-5-6-19(28)18(27)10-16)11-21(22)32-25(34)4-3-7-33-13-23-24(14-33)37-9-8-36-23/h3-6,10-12,15,23-24H,2,7-9,13-14H2,1H3,(H,32,34)(H,29,30,31)/b4-3+/t23-,24+
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n/an/a 8.10n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228107
PNG
( (E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-metho...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1
Show InChI InChI=1S/C25H25ClFN5O4/c1-34-21-11-19-16(25(29-14-28-19)30-15-4-5-18(27)17(26)9-15)10-20(21)31-24(33)3-2-6-32-12-22-23(13-32)36-8-7-35-22/h2-5,9-11,14,22-23H,6-8,12-13H2,1H3,(H,31,33)(H,28,29,30)/b3-2+/t22-,23+
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n/an/a 8.30n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228116
PNG
((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C31H31ClN6O5/c1-40-27-15-24-22(14-25(27)37-30(39)6-4-10-38-16-28-29(17-38)42-12-11-41-28)31(35-19-34-24)36-20-7-8-26(23(32)13-20)43-18-21-5-2-3-9-33-21/h2-9,13-15,19,28-29H,10-12,16-18H2,1H3,(H,37,39)(H,34,35,36)/b6-4+/t28-,29+
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n/an/a 8.5n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228118
PNG
((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...)
Show SMILES Clc1cc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)ccc1OCc1ccccn1 |r|
Show InChI InChI=1S/C34H35ClN6O6/c35-26-14-22(6-7-29(26)46-19-23-4-1-2-9-36-23)39-34-25-15-28(30(16-27(25)37-21-38-34)47-24-8-11-43-20-24)40-33(42)5-3-10-41-17-31-32(18-41)45-13-12-44-31/h1-7,9,14-16,21,24,31-32H,8,10-13,17-20H2,(H,40,42)(H,37,38,39)/b5-3+/t24-,31-,32+/m0/s1
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n/an/a 8.60n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228111
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(2-met...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C27H29ClFN5O5/c1-36-7-8-37-23-13-21-18(27(31-16-30-21)32-17-4-5-20(29)19(28)11-17)12-22(23)33-26(35)3-2-6-34-14-24-25(15-34)39-10-9-38-24/h2-5,11-13,16,24-25H,6-10,14-15H2,1H3,(H,33,35)(H,30,31,32)/b3-2+/t24-,25+
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n/an/a 8.70n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228124
PNG
((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-me...)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C25H24Cl2FN5O4/c1-35-19-10-17-14(25(30-13-29-17)32-16-5-4-15(26)23(27)24(16)28)9-18(19)31-22(34)3-2-6-33-11-20-21(12-33)37-8-7-36-20/h2-5,9-10,13,20-21H,6-8,11-12H2,1H3,(H,31,34)(H,29,30,32)/b3-2+/t20-,21+
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n/an/a 9.10n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228126
PNG
((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-(2...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C27H28Cl2FN5O5/c1-37-7-8-38-21-12-19-16(27(32-15-31-19)34-18-5-4-17(28)25(29)26(18)30)11-20(21)33-24(36)3-2-6-35-13-22-23(14-35)40-10-9-39-22/h2-5,11-12,15,22-23H,6-10,13-14H2,1H3,(H,33,36)(H,31,32,34)/b3-2+/t22-,23+
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n/an/a 9.60n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228111
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(2-met...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C27H29ClFN5O5/c1-36-7-8-37-23-13-21-18(27(31-16-30-21)32-17-4-5-20(29)19(28)11-17)12-22(23)33-26(35)3-2-6-34-14-24-25(15-34)39-10-9-38-24/h2-5,11-13,16,24-25H,6-10,14-15H2,1H3,(H,33,35)(H,30,31,32)/b3-2+/t24-,25+
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n/an/a 10.4n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228110
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(((s)-...)
Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)cc1Cl |r|
Show InChI InChI=1S/C28H29ClFN5O5/c29-20-10-17(3-4-21(20)30)33-28-19-11-23(24(12-22(19)31-16-32-28)40-18-5-7-37-15-18)34-27(36)2-1-6-35-13-25-26(14-35)39-9-8-38-25/h1-4,10-12,16,18,25-26H,5-9,13-15H2,(H,34,36)(H,31,32,33)/b2-1+/t18-,25-,26+/m0/s1
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n/an/a 11.7n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228113
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(metho...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-34-21-11-19-16(25(29-14-28-19)30-15-4-5-18(27)17(26)9-15)10-20(21)31-24(33)3-2-6-32-12-22-23(13-32)36-8-7-35-22/h2-5,9-11,14,22-23H,6-8,12-13H2,1H3,(H,31,33)(H,28,29,30)/b3-2+/t22-,23+
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n/an/a 12.5n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228119
PNG
((e)-n-(4-((1-(3-fluorobenzyl)-1h-indazol-5-yl)amin...)
Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnc5ccc(NC(=O)\C=C\CN6C[C@H]7OCCO[C@H]7C6)cc45)ccc23)c1 |r|
Show InChI InChI=1S/C32H30FN7O3/c33-23-4-1-3-21(13-23)17-40-28-9-7-24(14-22(28)16-36-40)38-32-26-15-25(6-8-27(26)34-20-35-32)37-31(41)5-2-10-39-18-29-30(19-39)43-12-11-42-29/h1-9,13-16,20,29-30H,10-12,17-19H2,(H,37,41)(H,34,35,38)/b5-2+/t29-,30+
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n/an/a 14n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228107
PNG
( (E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-metho...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1
Show InChI InChI=1S/C25H25ClFN5O4/c1-34-21-11-19-16(25(29-14-28-19)30-15-4-5-18(27)17(26)9-15)10-20(21)31-24(33)3-2-6-32-12-22-23(13-32)36-8-7-35-22/h2-5,9-11,14,22-23H,6-8,12-13H2,1H3,(H,31,33)(H,28,29,30)/b3-2+/t22-,23+
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n/an/a 14n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228121
PNG
((e)-n-(7-ethoxy-4-((1-(3-fluorobenzyl)-1h-indazol-...)
Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C34H34FN7O4/c1-2-44-30-16-27-26(15-28(30)40-33(43)7-4-10-41-19-31-32(20-41)46-12-11-45-31)34(37-21-36-27)39-25-8-9-29-23(14-25)17-38-42(29)18-22-5-3-6-24(35)13-22/h3-9,13-17,21,31-32H,2,10-12,18-20H2,1H3,(H,40,43)(H,36,37,39)/b7-4+/t31-,32+
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n/an/a 14.5n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228114
PNG
((e)-n-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)...)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)\C=C\CN5C[C@H]6OCCO[C@H]6C5)cc34)cc2Cl)c1 |r|
Show InChI InChI=1S/C31H29ClFN5O4/c32-25-15-23(7-9-27(25)42-18-20-3-1-4-21(33)13-20)37-31-24-14-22(6-8-26(24)34-19-35-31)36-30(39)5-2-10-38-16-28-29(17-38)41-12-11-40-28/h1-9,13-15,19,28-29H,10-12,16-18H2,(H,36,39)(H,34,35,37)/b5-2+/t28-,29+
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n/an/a 15n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228112
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(2,2,2...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCC(F)(F)F)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)cc1Cl |r|
Show InChI InChI=1S/C26H24ClF4N5O4/c27-17-8-15(3-4-18(17)28)34-25-16-9-20(21(40-13-26(29,30)31)10-19(16)32-14-33-25)35-24(37)2-1-5-36-11-22-23(12-36)39-7-6-38-22/h1-4,8-10,14,22-23H,5-7,11-13H2,(H,35,37)(H,32,33,34)/b2-1+/t22-,23+
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n/an/a 15.4n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228113
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(metho...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-34-21-11-19-16(25(29-14-28-19)30-15-4-5-18(27)17(26)9-15)10-20(21)31-24(33)3-2-6-32-12-22-23(13-32)36-8-7-35-22/h2-5,9-11,14,22-23H,6-8,12-13H2,1H3,(H,31,33)(H,28,29,30)/b3-2+/t22-,23+
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n/an/a 15.8n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228108
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-34-21-11-19-16(25(29-14-28-19)30-15-4-5-18(27)17(26)9-15)10-20(21)31-24(33)3-2-6-32-12-22-23(13-32)36-8-7-35-22/h2-5,9-11,14,22-23H,6-8,12-13H2,1H3,(H,31,33)(H,28,29,30)/b3-2+/t22-,23-/m0/s1
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n/an/a 16n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228128
PNG
((e)-n-(4-((3-chloro-2,4-difluorophenyl)amino)-7-me...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C25H24ClF2N5O4/c1-35-19-10-17-14(25(30-13-29-17)32-16-5-4-15(27)23(26)24(16)28)9-18(19)31-22(34)3-2-6-33-11-20-21(12-33)37-8-7-36-20/h2-5,9-10,13,20-21H,6-8,11-12H2,1H3,(H,31,34)(H,29,30,32)/b3-2+/t20-,21+
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n/an/a 17.8n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228117
PNG
((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C32H33ClN6O5/c1-2-41-28-16-25-23(15-26(28)38-31(40)7-5-11-39-17-29-30(18-39)43-13-12-42-29)32(36-20-35-25)37-21-8-9-27(24(33)14-21)44-19-22-6-3-4-10-34-22/h3-10,14-16,20,29-30H,2,11-13,17-19H2,1H3,(H,38,40)(H,35,36,37)/b7-5+/t29-,30+
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n/an/a 18.4n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228128
PNG
((e)-n-(4-((3-chloro-2,4-difluorophenyl)amino)-7-me...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C25H24ClF2N5O4/c1-35-19-10-17-14(25(30-13-29-17)32-16-5-4-15(27)23(26)24(16)28)9-18(19)31-22(34)3-2-6-33-11-20-21(12-33)37-8-7-36-20/h2-5,9-10,13,20-21H,6-8,11-12H2,1H3,(H,31,34)(H,29,30,32)/b3-2+/t20-,21+
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n/an/a 20n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228127
PNG
((e)-n-(4-((3,4-dichloro-2-fluorophenyl)amino)-7-((...)
Show SMILES Fc1c(Cl)c(Cl)ccc1Nc1ncnc2cc(O[C@H]3CCOC3)c(NC(=O)\C=C\CN3C[C@H]4OCCO[C@H]4C3)cc12 |r|
Show InChI InChI=1S/C28H28Cl2FN5O5/c29-18-3-4-19(27(31)26(18)30)35-28-17-10-21(22(11-20(17)32-15-33-28)41-16-5-7-38-14-16)34-25(37)2-1-6-36-12-23-24(13-36)40-9-8-39-23/h1-4,10-11,15-16,23-24H,5-9,12-14H2,(H,34,37)(H,32,33,35)/b2-1+/t16-,23-,24+/m0/s1
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n/an/a 20.3n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228115
PNG
((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...)
Show SMILES Clc1cc(Nc2ncnc3ccc(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)ccc1OCc1ccccn1 |r|
Show InChI InChI=1S/C30H29ClN6O4/c31-24-15-21(7-9-26(24)41-18-22-4-1-2-10-32-22)36-30-23-14-20(6-8-25(23)33-19-34-30)35-29(38)5-3-11-37-16-27-28(17-37)40-13-12-39-27/h1-10,14-15,19,27-28H,11-13,16-18H2,(H,35,38)(H,33,34,36)/b5-3+/t27-,28+
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n/an/a 22n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228122
PNG
((e)-n-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)...)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C32H31ClFN5O5/c1-41-28-15-25-23(14-26(28)38-31(40)6-3-9-39-16-29-30(17-39)43-11-10-42-29)32(36-19-35-25)37-22-7-8-27(24(33)13-22)44-18-20-4-2-5-21(34)12-20/h2-8,12-15,19,29-30H,9-11,16-18H2,1H3,(H,38,40)(H,35,36,37)/b6-3+/t29-,30+
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n/an/a 22.6n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228112
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(2,2,2...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCC(F)(F)F)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)cc1Cl |r|
Show InChI InChI=1S/C26H24ClF4N5O4/c27-17-8-15(3-4-18(17)28)34-25-16-9-20(21(40-13-26(29,30)31)10-19(16)32-14-33-25)35-24(37)2-1-5-36-11-22-23(12-36)39-7-6-38-22/h1-4,8-10,14,22-23H,5-7,11-13H2,(H,35,37)(H,32,33,34)/b2-1+/t22-,23+
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n/an/a 22.6n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228120
PNG
((e)-n-(4-((1-(3-fluorobenzyl)-1h-indazol-5-yl)amin...)
Show SMILES COc1cc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C33H32FN7O4/c1-43-29-15-26-25(14-27(29)39-32(42)6-3-9-40-18-30-31(19-40)45-11-10-44-30)33(36-20-35-26)38-24-7-8-28-22(13-24)16-37-41(28)17-21-4-2-5-23(34)12-21/h2-8,12-16,20,30-31H,9-11,17-19H2,1H3,(H,39,42)(H,35,36,38)/b6-3+/t30-,31+
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n/an/a 22.9n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228108
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-methox...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-34-21-11-19-16(25(29-14-28-19)30-15-4-5-18(27)17(26)9-15)10-20(21)31-24(33)3-2-6-32-12-22-23(13-32)36-8-7-35-22/h2-5,9-11,14,22-23H,6-8,12-13H2,1H3,(H,31,33)(H,28,29,30)/b3-2+/t22-,23-/m0/s1
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n/an/a 31n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228123
PNG
((e)-n-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C33H33ClFN5O5/c1-2-42-29-16-26-24(15-27(29)39-32(41)7-4-10-40-17-30-31(18-40)44-12-11-43-30)33(37-20-36-26)38-23-8-9-28(25(34)14-23)45-19-21-5-3-6-22(35)13-21/h3-9,13-16,20,30-31H,2,10-12,17-19H2,1H3,(H,39,41)(H,36,37,38)/b7-4+/t30-,31+
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n/an/a 31.9n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228121
PNG
((e)-n-(7-ethoxy-4-((1-(3-fluorobenzyl)-1h-indazol-...)
Show SMILES CCOc1cc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C34H34FN7O4/c1-2-44-30-16-27-26(15-28(30)40-33(43)7-4-10-41-19-31-32(20-41)46-12-11-45-31)34(37-21-36-27)39-25-8-9-29-23(14-25)17-38-42(29)18-22-5-3-6-24(35)13-22/h3-9,13-17,21,31-32H,2,10-12,18-20H2,1H3,(H,40,43)(H,36,37,39)/b7-4+/t31-,32+
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n/an/a 40.1n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM228112
PNG
((e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-(2,2,2...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCC(F)(F)F)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)cc1Cl |r|
Show InChI InChI=1S/C26H24ClF4N5O4/c27-17-8-15(3-4-18(17)28)34-25-16-9-20(21(40-13-26(29,30)31)10-19(16)32-14-33-25)35-24(37)2-1-5-36-11-22-23(12-36)39-7-6-38-22/h1-4,8-10,14,22-23H,5-7,11-13H2,(H,35,37)(H,32,33,34)/b2-1+/t22-,23+
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n/an/a 44n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228115
PNG
((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...)
Show SMILES Clc1cc(Nc2ncnc3ccc(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)ccc1OCc1ccccn1 |r|
Show InChI InChI=1S/C30H29ClN6O4/c31-24-15-21(7-9-26(24)41-18-22-4-1-2-10-32-22)36-30-23-14-20(6-8-25(23)33-19-34-30)35-29(38)5-3-11-37-16-27-28(17-37)40-13-12-39-27/h1-10,14-15,19,27-28H,11-13,16-18H2,(H,35,38)(H,33,34,36)/b5-3+/t27-,28+
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n/an/a 47.3n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM228116
PNG
((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C31H31ClN6O5/c1-40-27-15-24-22(14-25(27)37-30(39)6-4-10-38-16-28-29(17-38)42-12-11-41-28)31(35-19-34-24)36-20-7-8-26(23(32)13-20)43-18-21-5-2-3-9-33-21/h2-9,13-15,19,28-29H,10-12,16-18H2,1H3,(H,37,39)(H,34,35,36)/b6-4+/t28-,29+
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n/an/a 60.4n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228122
PNG
((e)-n-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)...)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C32H31ClFN5O5/c1-41-28-15-25-23(14-26(28)38-31(40)6-3-9-39-16-29-30(17-39)43-11-10-42-29)32(36-19-35-25)37-22-7-8-27(24(33)13-22)44-18-20-4-2-5-21(34)12-20/h2-8,12-15,19,29-30H,9-11,16-18H2,1H3,(H,38,40)(H,35,36,37)/b6-3+/t29-,30+
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n/an/a 87.3n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228119
PNG
((e)-n-(4-((1-(3-fluorobenzyl)-1h-indazol-5-yl)amin...)
Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnc5ccc(NC(=O)\C=C\CN6C[C@H]7OCCO[C@H]7C6)cc45)ccc23)c1 |r|
Show InChI InChI=1S/C32H30FN7O3/c33-23-4-1-3-21(13-23)17-40-28-9-7-24(14-22(28)16-36-40)38-32-26-15-25(6-8-27(26)34-20-35-32)37-31(41)5-2-10-39-18-29-30(19-39)43-12-11-42-29/h1-9,13-16,20,29-30H,10-12,17-19H2,(H,37,41)(H,34,35,38)/b5-2+/t29-,30+
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n/an/a 89.3n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM228153
PNG
((S)-5-(4-morpholino-5a,6,8,9-tetrahydro-5H- pyrimi...)
Show SMILES Nc1cc(c(cn1)-c1nc2N3CCOC[C@@H]3Cc2c(n1)N1CCOCC1)C(F)(F)F |r|
Show InChI InChI=1S/C19H21F3N6O2/c20-19(21,22)14-8-15(23)24-9-13(14)16-25-17(27-1-4-29-5-2-27)12-7-11-10-30-6-3-28(11)18(12)26-16/h8-9,11H,1-7,10H2,(H2,23,24)/t11-/m0/s1
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n/an/a 98.1n/an/an/an/a7.5n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
N-terminally His-tagged PI3K alpha (Cat. No. PV4789; 0.49 mg/ml), Alexa FluorŪ 647 labeled kinase Tracer 314 (Cat. No. PV6087), Biotin anti-His Tag a...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q22R3TPV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228123
PNG
((e)-n-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)...)
Show SMILES CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)\C=C\CN1C[C@H]2OCCO[C@H]2C1 |r|
Show InChI InChI=1S/C33H33ClFN5O5/c1-2-42-29-16-26-24(15-27(29)39-32(41)7-4-10-40-17-30-31(18-40)44-12-11-43-30)33(37-20-36-26)38-23-8-9-28(25(34)14-23)45-19-21-5-3-6-22(35)13-21/h3-9,13-16,20,30-31H,2,10-12,17-19H2,1H3,(H,39,41)(H,36,37,38)/b7-4+/t30-,31+
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n/an/a 133n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))		BDBM228114
PNG
((e)-n-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)...)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=O)\C=C\CN5C[C@H]6OCCO[C@H]6C5)cc34)cc2Cl)c1 |r|
Show InChI InChI=1S/C31H29ClFN5O4/c32-25-15-23(7-9-27(25)42-18-20-3-1-4-21(33)13-20)37-31-24-14-22(6-8-26(24)34-19-35-31)36-30(39)5-2-10-38-16-28-29(17-38)41-12-11-40-28/h1-9,13-15,19,28-29H,10-12,16-18H2,(H,36,39)(H,34,35,37)/b5-2+/t28-,29+
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n/an/a 317n/an/an/an/a7.525



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CF0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM228157
PNG
((S)-5-(2-morpholino-5a,6,8,9-tetrahydro-5H- pyrimi...)
Show SMILES Nc1cc(c(cn1)-c1nc(nc2N3CCOC[C@@H]3Cc12)N1CCOCC1)C(F)(F)F |r|
Show InChI InChI=1S/C19H21F3N6O2/c20-19(21,22)14-8-15(23)24-9-13(14)16-12-7-11-10-30-6-3-28(11)17(12)26-18(25-16)27-1-4-29-5-2-27/h8-9,11H,1-7,10H2,(H2,23,24)/t11-/m0/s1
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n/an/a 383n/an/an/an/a7.5n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
N-terminally His-tagged PI3K alpha (Cat. No. PV4789; 0.49 mg/ml), Alexa FluorŪ 647 labeled kinase Tracer 314 (Cat. No. PV6087), Biotin anti-His Tag a...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q22R3TPV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM228130
PNG
((R)-5-(4-morpholino-5a,6,8,9-tetrahydro-5H- pyrimi...)
Show SMILES Nc1cc(c(cn1)-c1nc2N3CCOC[C@H]3Cc2c(n1)N1CCOCC1)C(F)(F)F |r|
Show InChI InChI=1S/C19H21F3N6O2/c20-19(21,22)14-8-15(23)24-9-13(14)16-25-17(27-1-4-29-5-2-27)12-7-11-10-30-6-3-28(11)18(12)26-16/h8-9,11H,1-7,10H2,(H2,23,24)/t11-/m1/s1
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n/an/a 390n/an/an/an/a7.5n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
N-terminally His-tagged PI3K alpha (Cat. No. PV4789; 0.49 mg/ml), Alexa FluorŪ 647 labeled kinase Tracer 314 (Cat. No. PV6087), Biotin anti-His Tag a...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q22R3TPV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM228155
PNG
((R)-5-(2-morpholino-5a,6,8,9-tetrahydro-5H- pyrimi...)
Show SMILES Nc1cc(c(cn1)-c1nc(nc2N3CCOC[C@H]3Cc12)N1CCOCC1)C(F)(F)F |r|
Show InChI InChI=1S/C19H21F3N6O2/c20-19(21,22)14-8-15(23)24-9-13(14)16-12-7-11-10-30-6-3-28(11)17(12)26-18(25-16)27-1-4-29-5-2-27/h8-9,11H,1-7,10H2,(H2,23,24)/t11-/m1/s1
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n/an/a 2.62E+3n/an/an/an/a7.5n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
N-terminally His-tagged PI3K alpha (Cat. No. PV4789; 0.49 mg/ml), Alexa FluorŪ 647 labeled kinase Tracer 314 (Cat. No. PV6087), Biotin anti-His Tag a...

US Patent US9556191 (2017)


BindingDB Entry DOI: 10.7270/Q22R3TPV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%