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Patent code US9879013

Compile Data Set for Download or QSAR
Found 12 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
LCK/BTK


(Homo sapiens (human))
BDBM275489
PNG
(US9879013, 11(3))
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C27H29N7O3/c1-31(2)15-6-9-23(35)32-16-14-20(17-32)34-26-24(25(28)29-18-30-26)33(27(34)36)19-10-12-22(13-11-19)37-21-7-4-3-5-8-21/h3-13,18,20H,14-17H2,1-2H3,(H2,28,29,30)/b9-6+/t20-/m1/s1
PDB

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n/an/a 1.90E+4n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)

More data for this
Ligand-Target Pair
LCK/BTK


(Homo sapiens (human))
BDBM275463
PNG
(US9879013, 8)
Show SMILES Nc1ncnc2n(C3CN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C23H20N6O3/c1-2-19(30)27-12-16(13-27)29-22-20(21(24)25-14-26-22)28(23(29)31)15-8-10-18(11-9-15)32-17-6-4-3-5-7-17/h2-11,14,16H,1,12-13H2,(H2,24,25,26)
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n/an/a 8.00E+4n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)

More data for this
Ligand-Target Pair
LCK/BTK


(Homo sapiens (human))
BDBM194087
PNG
(US9199997, 9 | US9879013, 19(2))
Show SMILES CC#CC(=O)N1CC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C25H22N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28)/t18-/m1/s1
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PC cid
PC sid
UniChem
n/an/a 1.14E+5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)

More data for this
Ligand-Target Pair
LynA/BTK


(Homo sapiens (Human)-Homo sapiens (human))
BDBM275489
PNG
(US9879013, 11(3))
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C27H29N7O3/c1-31(2)15-6-9-23(35)32-16-14-20(17-32)34-26-24(25(28)29-18-30-26)33(27(34)36)19-10-12-22(13-11-19)37-21-7-4-3-5-8-21/h3-13,18,20H,14-17H2,1-2H3,(H2,28,29,30)/b9-6+/t20-/m1/s1
PDB
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n/an/a 1.43E+5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)

More data for this
Ligand-Target Pair
LCK/BTK


(Homo sapiens (human))
BDBM275473
PNG
(US9879013, 8(14))
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C26H26N6O3/c1-2-22(33)30-14-12-18(13-15-30)16-31-25-23(24(27)28-17-29-25)32(26(31)34)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H2,27,28,29)
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UniProtKB/SwissProt

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n/an/a 2.20E+5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)

More data for this
Ligand-Target Pair
Fyn/BTK


(Homo sapiens (Human)-Homo sapiens (human))
BDBM275489
PNG
(US9879013, 11(3))
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C27H29N7O3/c1-31(2)15-6-9-23(35)32-16-14-20(17-32)34-26-24(25(28)29-18-30-26)33(27(34)36)19-10-12-22(13-11-19)37-21-7-4-3-5-8-21/h3-13,18,20H,14-17H2,1-2H3,(H2,28,29,30)/b9-6+/t20-/m1/s1
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UniProtKB/SwissProt

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UniChem
n/an/a 2.36E+5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)

More data for this
Ligand-Target Pair
Fyn/BTK


(Homo sapiens (Human)-Homo sapiens (human))
BDBM275463
PNG
(US9879013, 8)
Show SMILES Nc1ncnc2n(C3CN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C23H20N6O3/c1-2-19(30)27-12-16(13-27)29-22-20(21(24)25-14-26-22)28(23(29)31)15-8-10-18(11-9-15)32-17-6-4-3-5-7-17/h2-11,14,16H,1,12-13H2,(H2,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
n/an/a 4.53E+5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)

More data for this
Ligand-Target Pair
LynA/BTK


(Homo sapiens (Human)-Homo sapiens (human))
BDBM275463
PNG
(US9879013, 8)
Show SMILES Nc1ncnc2n(C3CN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C23H20N6O3/c1-2-19(30)27-12-16(13-27)29-22-20(21(24)25-14-26-22)28(23(29)31)15-8-10-18(11-9-15)32-17-6-4-3-5-7-17/h2-11,14,16H,1,12-13H2,(H2,24,25,26)
PDB
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n/an/a 4.59E+5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)

More data for this
Ligand-Target Pair
LynA/BTK


(Homo sapiens (Human)-Homo sapiens (human))
BDBM194087
PNG
(US9199997, 9 | US9879013, 19(2))
Show SMILES CC#CC(=O)N1CC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C25H22N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28)/t18-/m1/s1
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UniChem
n/an/a 4.71E+5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)

More data for this
Ligand-Target Pair
Fyn/BTK


(Homo sapiens (Human)-Homo sapiens (human))
BDBM194087
PNG
(US9199997, 9 | US9879013, 19(2))
Show SMILES CC#CC(=O)N1CC[C@H](C1)n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C25H22N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28)/t18-/m1/s1
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PC cid
PC sid
UniChem
n/an/a 7.62E+5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)

More data for this
Ligand-Target Pair
LynA/BTK


(Homo sapiens (Human)-Homo sapiens (human))
BDBM275473
PNG
(US9879013, 8(14))
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C26H26N6O3/c1-2-22(33)30-14-12-18(13-15-30)16-31-25-23(24(27)28-17-29-25)32(26(31)34)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H2,27,28,29)
PDB
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n/an/a 1.77E+6n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)

More data for this
Ligand-Target Pair
Fyn/BTK


(Homo sapiens (Human)-Homo sapiens (human))
BDBM275473
PNG
(US9879013, 8(14))
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C26H26N6O3/c1-2-22(33)30-14-12-18(13-15-30)16-31-25-23(24(27)28-17-29-25)32(26(31)34)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H2,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
n/an/a 2.50E+6n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The Btk enzyme inhibitory activity was measured, based on the protocol provided by the manufacturer, using Btk (Invitrogen Corporation) and the ZR...


US Patent US9879013 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%