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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'LynA/BTK'   
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
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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PC cid
PC sid
UniChem
n/an/a 1.66E+3n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The measurement of Btk enzyme inhibitory activity was performed using the following reagents: Z'-LYTE Kinase Assay Kit-Tyr 1 (containing Tyr 1 peptid...


US Patent US9199997 (2015)


BindingDB Entry DOI: 10.7270/Q2GF0S90
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
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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
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)
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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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PC cid
PC sid
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
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