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Patent code US8703767

Compile Data Set for Download or QSAR
Found 18 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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120748
PNG
(US8703767, 8)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H22ClN5O2/c1-2-21(30)26-18-5-3-4-16(14-18)22-20(24)15-25-23(28-22)27-17-6-8-19(9-7-17)29-10-12-31-13-11-29/h2-9,14-15H,1,10-13H2,(H,26,30)(H,25,27,28)
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US Patent
n/an/a 33n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120741
PNG
(US8703767, 1)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)nc2n[nH]cc12
Show InChI InChI=1S/C24H23N7O2/c1-2-21(32)26-18-5-3-4-16(14-18)22-20-15-25-30-23(20)29-24(28-22)27-17-6-8-19(9-7-17)31-10-12-33-13-11-31/h2-9,14-15H,1,10-13H2,(H,26,32)(H2,25,27,28,29,30)
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n/an/a 45n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Activity of compounds was routinely confirmed using a secondary assay as described herein. The secondary assay was a time resolved-FRET kinase assay....

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120748
PNG
(US8703767, 8)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H22ClN5O2/c1-2-21(30)26-18-5-3-4-16(14-18)22-20(24)15-25-23(28-22)27-17-6-8-19(9-7-17)29-10-12-31-13-11-29/h2-9,14-15H,1,10-13H2,(H,26,30)(H,25,27,28)
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n/an/a 47n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Activity of compounds was routinely confirmed using a secondary assay as described herein. The secondary assay was a time resolved-FRET kinase assay....

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120741
PNG
(US8703767, 1)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)nc2n[nH]cc12
Show InChI InChI=1S/C24H23N7O2/c1-2-21(32)26-18-5-3-4-16(14-18)22-20-15-25-30-23(20)29-24(28-22)27-17-6-8-19(9-7-17)31-10-12-33-13-11-31/h2-9,14-15H,1,10-13H2,(H,26,32)(H2,25,27,28,29,30)
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n/an/a 79n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120743
PNG
(US8703767, 3)
Show SMILES Fc1cc(Nc2nc(-c3cccc(NC(=O)C=C)c3)c3c[nH]nc3n2)ccc1N1CCOCC1
Show InChI InChI=1S/C24H22FN7O2/c1-2-21(33)27-16-5-3-4-15(12-16)22-18-14-26-31-23(18)30-24(29-22)28-17-6-7-20(19(25)13-17)32-8-10-34-11-9-32/h2-7,12-14H,1,8-11H2,(H,27,33)(H2,26,28,29,30,31)
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n/an/a 126n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Activity of compounds was routinely confirmed using a secondary assay as described herein. The secondary assay was a time resolved-FRET kinase assay....

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120742
PNG
(US8703767, 2)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(-c3cccc(NC(=O)C=C)c3)c3c[nH]nc3n2)cc1
Show InChI InChI=1S/C25H26N8O/c1-3-22(34)27-19-6-4-5-17(15-19)23-21-16-26-31-24(21)30-25(29-23)28-18-7-9-20(10-8-18)33-13-11-32(2)12-14-33/h3-10,15-16H,1,11-14H2,2H3,(H,27,34)(H2,26,28,29,30,31)
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n/an/a 187n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120743
PNG
(US8703767, 3)
Show SMILES Fc1cc(Nc2nc(-c3cccc(NC(=O)C=C)c3)c3c[nH]nc3n2)ccc1N1CCOCC1
Show InChI InChI=1S/C24H22FN7O2/c1-2-21(33)27-16-5-3-4-15(12-16)22-18-14-26-31-23(18)30-24(29-22)28-17-6-7-20(19(25)13-17)32-8-10-34-11-9-32/h2-7,12-14H,1,8-11H2,(H,27,33)(H2,26,28,29,30,31)
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n/an/a 230n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120744
PNG
(US8703767, 4)
Show SMILES Clc1nc(-c2cccc(NC(=O)C=C)c2)c2c[nH]nc2n1
Show InChI InChI=1S/C14H10ClN5O/c1-2-11(21)17-9-5-3-4-8(6-9)12-10-7-16-20-13(10)19-14(15)18-12/h2-7H,1H2,(H,17,21)(H,16,18,19,20)
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n/an/a 263n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120747
PNG
(US8703767, 7)
Show SMILES Fc1cc(Nc2ncc(Cl)c(n2)-c2cccc(NC(=O)C=C)c2)ccc1N1CCOCC1
Show InChI InChI=1S/C23H21ClFN5O2/c1-2-21(31)27-16-5-3-4-15(12-16)22-18(24)14-26-23(29-22)28-17-6-7-20(19(25)13-17)30-8-10-32-11-9-30/h2-7,12-14H,1,8-11H2,(H,27,31)(H,26,28,29)
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n/an/a 287n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Activity of compounds was routinely confirmed using a secondary assay as described herein. The secondary assay was a time resolved-FRET kinase assay....

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120747
PNG
(US8703767, 7)
Show SMILES Fc1cc(Nc2ncc(Cl)c(n2)-c2cccc(NC(=O)C=C)c2)ccc1N1CCOCC1
Show InChI InChI=1S/C23H21ClFN5O2/c1-2-21(31)27-16-5-3-4-15(12-16)22-18(24)14-26-23(29-22)28-17-6-7-20(19(25)13-17)30-8-10-32-11-9-30/h2-7,12-14H,1,8-11H2,(H,27,31)(H,26,28,29)
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n/an/a 518n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120742
PNG
(US8703767, 2)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(-c3cccc(NC(=O)C=C)c3)c3c[nH]nc3n2)cc1
Show InChI InChI=1S/C25H26N8O/c1-3-22(34)27-19-6-4-5-17(15-19)23-21-16-26-31-24(21)30-25(29-23)28-18-7-9-20(10-8-18)33-13-11-32(2)12-14-33/h3-10,15-16H,1,11-14H2,2H3,(H,27,34)(H2,26,28,29,30,31)
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n/an/a 562n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Activity of compounds was routinely confirmed using a secondary assay as described herein. The secondary assay was a time resolved-FRET kinase assay....

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120752
PNG
(US8703767, 12)
Show SMILES Fc1cccc(Nc2cnc(Cl)nc2-c2cccc(NC(=O)C=C)c2)c1
Show InChI InChI=1S/C19H14ClFN4O/c1-2-17(26)24-14-7-3-5-12(9-14)18-16(11-22-19(20)25-18)23-15-8-4-6-13(21)10-15/h2-11,23H,1H2,(H,24,26)
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n/an/a 829n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120749
PNG
(US8703767, 9)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(NC(=O)C=C)c2)cc1
Show InChI InChI=1S/C24H25ClN6O/c1-3-22(32)27-19-6-4-5-17(15-19)23-21(25)16-26-24(29-23)28-18-7-9-20(10-8-18)31-13-11-30(2)12-14-31/h3-10,15-16H,1,11-14H2,2H3,(H,27,32)(H,26,28,29)
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n/an/a 1.27E+3n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120745
PNG
(US8703767, 5)
Show SMILES Clc1ncc(Nc2ccccc2)c(n1)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C19H15ClN4O/c1-2-17(25)23-15-10-6-7-13(11-15)18-16(12-21-19(20)24-18)22-14-8-4-3-5-9-14/h2-12,22H,1H2,(H,23,25)
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n/an/a 1.81E+3n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120744
PNG
(US8703767, 4)
Show SMILES Clc1nc(-c2cccc(NC(=O)C=C)c2)c2c[nH]nc2n1
Show InChI InChI=1S/C14H10ClN5O/c1-2-11(21)17-9-5-3-4-8(6-9)12-10-7-16-20-13(10)19-14(15)18-12/h2-7H,1H2,(H,17,21)(H,16,18,19,20)
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n/an/a 3.77E+3n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Activity of compounds was routinely confirmed using a secondary assay as described herein. The secondary assay was a time resolved-FRET kinase assay....

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120750
PNG
(US8703767, 10)
Show SMILES Clc1ncc(Br)c(n1)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C13H9BrClN3O/c1-2-11(19)17-9-5-3-4-8(6-9)12-10(14)7-16-13(15)18-12/h2-7H,1H2,(H,17,19)
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n/an/a 4.70E+3n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120751
PNG
(US8703767, 11)
Show SMILES Clc1ncc(Cl)c(n1)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C13H9Cl2N3O/c1-2-11(19)17-9-5-3-4-8(6-9)12-10(14)7-16-13(15)18-12/h2-7H,1H2,(H,17,19)
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n/an/a 1.44E+4n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM120746
PNG
(US8703767, 6)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Nc1ccccc1
Show InChI InChI=1S/C29H28N6O2/c1-2-27(36)32-24-10-6-7-21(19-24)28-26(31-22-8-4-3-5-9-22)20-30-29(34-28)33-23-11-13-25(14-12-23)35-15-17-37-18-16-35/h2-14,19-20,31H,1,15-18H2,(H,32,36)(H,30,33,34)
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n/an/a>1.00E+5n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...

US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%