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Patent code US9802920

Compile Data Set for Download or QSAR
Found 20 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))
BDBM352195
PNG
(US9802920, Compound I-19 | [5-Amino-1-(4-phenoxy- ...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1)C(=O)c1cc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C29H27N5O3/c30-29-25(18-31-34(29)22-8-10-24(11-9-22)37-23-4-2-1-3-5-23)28(35)27-17-21-7-6-20(16-26(21)32-27)19-33-12-14-36-15-13-33/h1-11,16-18,32H,12-15,19,30H2
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n/an/a 0.5n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352196
PNG
(3-{4-[5-Amino-4-(6- morpholin-4-ylmethyl-1H- indol...)
Show SMILES NCc1cccc(Oc2ccc(c(Cl)c2)-n2ncc(C(=O)c3cc4ccc(CN5CCOCC5)cc4[nH]3)c2N)c1
Show InChI InChI=1S/C30H29ClN6O3/c31-25-15-23(40-22-3-1-2-19(12-22)16-32)6-7-28(25)37-30(33)24(17-34-37)29(38)27-14-21-5-4-20(13-26(21)35-27)18-36-8-10-39-11-9-36/h1-7,12-15,17,35H,8-11,16,18,32-33H2
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n/an/a 1n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352190
PNG
(US9802920, Compound I-14 | {5-Amino-1-[4-(2,3- dif...)
Show SMILES Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C25H18F2N4O2/c1-14-11-16(33-22-8-4-6-18(26)23(22)27)9-10-21(14)31-25(28)17(13-29-31)24(32)20-12-15-5-2-3-7-19(15)30-20/h2-13,30H,28H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352194
PNG
(US9802920, Compound I-18 | {5-Amino-1-[4-(2,3-difl...)
Show SMILES Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2nc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C24H17F2N5O2/c1-13-11-14(33-20-8-4-5-16(25)21(20)26)9-10-19(13)31-23(27)15(12-28-31)22(32)24-29-17-6-2-3-7-18(17)30-24/h2-12H,27H2,1H3,(H,29,30)
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n/an/a 5n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352191
PNG
(2-{4-[5-Amino-4-(1H- indole-2-carbonyl)-pyrazol- 1...)
Show SMILES Cc1cc(Oc2ccccc2C#N)ccc1-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C26H19N5O2/c1-16-12-19(33-24-9-5-3-7-18(24)14-27)10-11-23(16)31-26(28)20(15-29-31)25(32)22-13-17-6-2-4-8-21(17)30-22/h2-13,15,30H,28H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352177
PNG
(US9802920, Compound I-1 | [5-Amino-1-(3-fluoro-4- ...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2)c(F)c1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H17FN4O2/c25-19-13-16(10-11-22(19)31-17-7-2-1-3-8-17)29-24(26)18(14-27-29)23(30)21-12-15-6-4-5-9-20(15)28-21/h1-14,28H,26H2
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n/an/a 41n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352184
PNG
(US9802920, Compound I-8 | [5-Amino-1-(3-hydroxy-4-...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2)c(O)c1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H18N4O3/c25-24-18(23(30)20-12-15-6-4-5-9-19(15)27-20)14-26-28(24)16-10-11-22(21(29)13-16)31-17-7-2-1-3-8-17/h1-14,27,29H,25H2
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n/an/a 59n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352192
PNG
(3-{4-[5-Amino-4-(1H- indole-2-carbonyl)-pyrazol- 1...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H16ClN5O2/c26-20-12-18(33-17-6-3-4-15(10-17)13-27)8-9-23(20)31-25(28)19(14-29-31)24(32)22-11-16-5-1-2-7-21(16)30-22/h1-12,14,30H,28H2
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n/an/a 82n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352185
PNG
(US9802920, Compound I-9 | [5-Amino-1-(2-methoxy-4-...)
Show SMILES COc1cc(Oc2ccccc2)ccc1-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C25H20N4O3/c1-31-23-14-18(32-17-8-3-2-4-9-17)11-12-22(23)29-25(26)19(15-27-29)24(30)21-13-16-7-5-6-10-20(16)28-21/h2-15,28H,26H2,1H3
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n/an/a 146n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352186
PNG
(US9802920, Compound I-10 | [5-Amino-1-(2-hydroxy-4...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1O)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H18N4O3/c25-24-18(23(30)20-12-15-6-4-5-9-19(15)27-20)14-26-28(24)21-11-10-17(13-22(21)29)31-16-7-2-1-3-8-16/h1-14,27,29H,25H2
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n/an/a 162n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352181
PNG
(5-Amino-1-(3-chloro-4- phenoxy-phenyl)-1H- pyrazol...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2)c(Cl)c1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H17ClN4O2/c25-19-13-16(10-11-22(19)31-17-7-2-1-3-8-17)29-24(26)18(14-27-29)23(30)21-12-15-6-4-5-9-20(15)28-21/h1-14,28H,26H2
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n/an/a 216n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352193
PNG
(3-{4-[5-Amino-4-(1H- benzoimidazole-2-carbonyl)- p...)
Show SMILES Cc1cc(Oc2cccc(c2)C(N)=O)ccc1-n1ncc(C(=O)c2nc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C25H20N6O3/c1-14-11-17(34-16-6-4-5-15(12-16)24(27)33)9-10-21(14)31-23(26)18(13-28-31)22(32)25-29-19-7-2-3-8-20(19)30-25/h2-13H,26H2,1H3,(H2,27,33)(H,29,30)
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n/an/a 230n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352179
PNG
(US9802920, Compound I-3 | {5-Amino-1-[4-(pyridin-2...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccn2)cc1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H17N5O2/c24-23-18(22(29)20-13-15-5-1-2-6-19(15)27-20)14-26-28(23)16-8-10-17(11-9-16)30-21-7-3-4-12-25-21/h1-14,27H,24H2
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n/an/a 502n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Src...


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352183
PNG
(US9802920, Compound I-7 | [5-Amino-1-(3-methoxy-4-...)
Show SMILES COc1cc(ccc1Oc1ccccc1)-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C25H20N4O3/c1-31-23-14-17(11-12-22(23)32-18-8-3-2-4-9-18)29-25(26)19(15-27-29)24(30)21-13-16-7-5-6-10-20(16)28-21/h2-15,28H,26H2,1H3
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n/an/a 552n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352178
PNG
(US9802920, Compound I-2 | [5-Amino-1-(6-phenoxy- p...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2)nc1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H17N5O2/c24-23-18(22(29)20-12-15-6-4-5-9-19(15)27-20)14-26-28(23)16-10-11-21(25-13-16)30-17-7-2-1-3-8-17/h1-14,27H,24H2
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n/an/a 869n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Src...


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352188
PNG
(US9802920, Compound I-12 | [5-Amino-1-(4- cyclopen...)
Show SMILES Nc1c(cnn1-c1ccc(OC2CCCC2)cc1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H22N4O2/c24-23-19(22(28)21-13-15-5-1-4-8-20(15)26-21)14-25-27(23)16-9-11-18(12-10-16)29-17-6-2-3-7-17/h1,4-5,8-14,17,26H,2-3,6-7,24H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352189
PNG
(US9802920, Compound I-13 | {5-Amino-1-[4-(2,2- dim...)
Show SMILES CC(C)(C)COc1ccc(cc1)-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C23H24N4O2/c1-23(2,3)14-29-17-10-8-16(9-11-17)27-22(24)18(13-25-27)21(28)20-12-15-6-4-5-7-19(15)26-20/h4-13,26H,14,24H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352182
PNG
(US9802920, Compound I-6 | {5-Amino-1-[4-(3,4- difl...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H16F2N4O2/c25-19-10-9-17(12-20(19)26)32-16-7-5-15(6-8-16)30-24(27)18(13-28-30)23(31)22-11-14-3-1-2-4-21(14)29-22/h1-13,29H,27H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


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


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352180
PNG
(US9802920, Compound I-4 | {5-Amino-1-[4-(pyridin-3...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccnc2)cc1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H17N5O2/c24-23-19(22(29)21-12-15-4-1-2-6-20(15)27-21)14-26-28(23)16-7-9-17(10-8-16)30-18-5-3-11-25-13-18/h1-14,27H,24H2
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n/an/a 2.20E+4n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Src...


US Patent US9802920 (2017)

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


(Homo sapiens (Human))
BDBM352187
PNG
(US9802920, Compound I-11 | [5-Amino-1-(4-isopropox...)
Show SMILES CC(C)Oc1ccc(cc1)-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C21H20N4O2/c1-13(2)27-16-9-7-15(8-10-16)25-21(22)17(12-23-25)20(26)19-11-14-5-3-4-6-18(14)24-19/h3-13,24H,22H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 7.39E+4n/an/an/an/an/an/a



Hoffman-La Roche Inc.; Chugai Pharamceutical Co.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Src...


US Patent US9802920 (2017)

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