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Patent code US9469644

Compile Data Set for Download or QSAR
Found 7 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))
BDBM250520
PNG
(US9469644, 6)
Show SMILES O=C(NC1CCCC(C1)Nc1ncnc2[nH]cnc12)c1ccccc1
Show InChI InChI=1S/C18H20N6O/c25-18(12-5-2-1-3-6-12)24-14-8-4-7-13(9-14)23-17-15-16(20-10-19-15)21-11-22-17/h1-3,5-6,10-11,13-14H,4,7-9H2,(H,24,25)(H2,19,20,21,22,23)
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PC cid
PC sid
UniChem
US Patent
n/an/a 45.3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


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


(Homo sapiens (human))
BDBM250519
PNG
(US9469644, 5)
Show SMILES Cn1cc(Nc2nc(NC3CCCC(C3)NC(=O)c3ccc(cc3)C(C)(C)C)c3nc[nH]c3n2)cn1
Show InChI InChI=1S/C26H33N9O/c1-26(2,3)17-10-8-16(9-11-17)24(36)31-19-7-5-6-18(12-19)30-23-21-22(28-15-27-21)33-25(34-23)32-20-13-29-35(4)14-20/h8-11,13-15,18-19H,5-7,12H2,1-4H3,(H,31,36)(H3,27,28,30,32,33,34)
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US Patent
n/an/a 56.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


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


(Homo sapiens (human))
BDBM250521
PNG
(US9469644, 7)
Show SMILES CC(C)(C)OC(=O)NC1CCCC(C1)C(O)=O
Show InChI InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
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PC cid
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US Patent
n/an/a 109n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


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


(Homo sapiens (human))
BDBM250517
PNG
(US9469644, 3)
Show SMILES Cn1cc(Nc2nc(NC3CCCCC3)c3nc[nH]c3n2)cn1
Show InChI InChI=1S/C15H20N8/c1-23-8-11(7-18-23)20-15-21-13-12(16-9-17-13)14(22-15)19-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H3,16,17,19,20,21,22)
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US Patent
n/an/a 2.82E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


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


(Homo sapiens (human))
BDBM250515
PNG
(US9469644, 1)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC1CCCC(C1)Nc1ncnc2[nH]cnc12
Show InChI InChI=1S/C22H28N6O/c1-22(2,3)15-9-7-14(8-10-15)21(29)28-17-6-4-5-16(11-17)27-20-18-19(24-12-23-18)25-13-26-20/h7-10,12-13,16-17H,4-6,11H2,1-3H3,(H,28,29)(H2,23,24,25,26,27)
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US Patent
n/an/a 9.57E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


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


(Homo sapiens (human))
BDBM250518
PNG
(US9469644, 4)
Show SMILES CC1CCCC(C1)Nc1nc(Nc2cnn(C)c2)nc2[nH]cnc12
Show InChI InChI=1S/C16H22N8/c1-10-4-3-5-11(6-10)20-15-13-14(18-9-17-13)22-16(23-15)21-12-7-19-24(2)8-12/h7-11H,3-6H2,1-2H3,(H3,17,18,20,21,22,23)
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US Patent
n/an/a 4.06E+4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


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


(Homo sapiens (human))
BDBM250516
PNG
(US9469644, 2)
Show SMILES Clc1cccc(CNC(=O)C2CCCC(C2)Nc2ncnc3[nH]cnc23)c1
Show InChI InChI=1S/C19H21ClN6O/c20-14-5-1-3-12(7-14)9-21-19(27)13-4-2-6-15(8-13)26-18-16-17(23-10-22-16)24-11-25-18/h1,3,5,7,10-11,13,15H,2,4,6,8-9H2,(H,21,27)(H2,22,23,24,25,26)
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PC cid
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US Patent
n/an/a 1.00E+5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


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