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Patent code US9956208

Compile Data Set for Download or QSAR
Found 4 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))
BDBM389640
PNG
(US9956208, 1)
Show SMILES Cc1ccc(O)cc1-n1nc2c-3c(COc4c(NC(=O)C=C)cccc-34)[nH]c(=O)c2c1N
Show InChI InChI=1S/C23H19N5O4/c1-3-17(30)25-14-6-4-5-13-18-15(10-32-21(13)14)26-23(31)19-20(18)27-28(22(19)24)16-9-12(29)8-7-11(16)2/h3-9,29H,1,10,24H2,2H3,(H,25,30)(H,26,31)
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US Patent
n/an/a<10n/an/an/an/an/an/a



TBA

US Patent


Assay Description
BTK activity was determined using Invitrogen's SelectScreen Biochemical Kinase Profiling Service using the Z′-LYTE Screening Protocol and A...


US Patent US9956208 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM390426
PNG
(US9956208, 2)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc-2c1OCc1[nH]c(=O)c3c(N)n(nc3c-21)-c1cc(O)ccc1C
Show InChI InChI=1S/C26H26N6O4/c1-14-9-10-15(33)12-19(14)32-25(27)22-23(30-32)21-16-6-4-7-17(28-20(34)8-5-11-31(2)3)24(16)36-13-18(21)29-26(22)35/h4-10,12,33H,11,13,27H2,1-3H3,(H,28,34)(H,29,35)/b8-5+
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n/an/a<10n/an/an/an/an/an/a



TBA

US Patent


Assay Description
BTK activity was determined using Invitrogen's SelectScreen Biochemical Kinase Profiling Service using the Z′-LYTE Screening Protocol and A...


US Patent US9956208 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM390427
PNG
(US9956208, 3)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc-2c1OCc1[nH]c(=O)c3c(N)n(nc3c-21)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C31H28N6O4/c1-36(2)17-7-12-25(38)33-23-11-6-10-22-26-24(18-40-29(22)23)34-31(39)27-28(26)35-37(30(27)32)19-13-15-21(16-14-19)41-20-8-4-3-5-9-20/h3-16H,17-18,32H2,1-2H3,(H,33,38)(H,34,39)/b12-7+
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n/an/a<10n/an/an/an/an/an/a



TBA

US Patent


Assay Description
BTK activity was determined using Invitrogen's SelectScreen Biochemical Kinase Profiling Service using the Z′-LYTE Screening Protocol and A...


US Patent US9956208 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM390428
PNG
(US9956208, 4)
Show SMILES Nc1n(nc2c-3c(COc4c(NC(=O)C=C)cccc-34)[nH]c(=O)c12)-c1ccccc1F
Show InChI InChI=1S/C22H16FN5O3/c1-2-16(29)25-13-8-5-6-11-17-14(10-31-20(11)13)26-22(30)18-19(17)27-28(21(18)24)15-9-4-3-7-12(15)23/h2-9H,1,10,24H2,(H,25,29)(H,26,30)
PDB
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PC cid
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US Patent
n/an/a 55n/an/an/an/an/an/a



TBA

US Patent


Assay Description
BTK activity was determined using Invitrogen's SelectScreen Biochemical Kinase Profiling Service using the Z′-LYTE Screening Protocol and A...


US Patent US9956208 (2018)

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