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Patent code US8497277

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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM1773
PNG
(US10280174, Comparative Compound 1 | US8476284, 4 ...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)
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US Patent
n/an/a<0.5n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97673
PNG
(US8476284, 41 | US8497277, 6)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)S(=O)(=O)C=C
Show InChI InChI=1S/C24H24N6O3S/c1-2-34(31,32)29-14-6-7-18(15-29)30-24-21(23(25)26-16-27-24)22(28-30)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,25,26,27)
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n/an/a 0.520n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97678
PNG
(US8476284, 9 | US8497277, 10 | US8497277, 9 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-12-18(13-15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H2,26,27,28)
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n/an/a 0.580n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97677
PNG
(US8476284, 7 | US8497277, 7 | US9133201, 7)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)CCl
Show InChI InChI=1S/C24H23ClN6O2/c25-13-20(32)30-12-4-5-17(14-30)31-24-21(23(26)27-15-28-24)22(29-31)16-8-10-19(11-9-16)33-18-6-2-1-3-7-18/h1-3,6-11,15,17H,4-5,12-14H2,(H2,26,27,28)
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n/an/a 0.580n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97674
PNG
(US8476284, 42 | US8497277, 8 | US9133201, 8)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C#C
Show InChI InChI=1S/C25H22N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h1,3-5,8-13,16,18H,6-7,14-15H2,(H2,26,27,28)
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n/an/a 0.720n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM1773
PNG
(US10280174, Comparative Compound 1 | US8476284, 4 ...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)
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n/an/a 0.720n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97669
PNG
(US8476284, 37 | US8497277, 14)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
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n/an/a 1.40n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM98655
PNG
(US8497277, 11 | US8497277, 12)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C24H22N6O2/c1-2-20(31)29-13-12-17(14-29)30-24-21(23(25)26-15-27-24)22(28-30)16-8-10-19(11-9-16)32-18-6-4-3-5-7-18/h2-11,15,17H,1,12-14H2,(H2,25,26,27)
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n/an/a 1.60n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM98655
PNG
(US8497277, 11 | US8497277, 12)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C24H22N6O2/c1-2-20(31)29-13-12-17(14-29)30-24-21(23(25)26-15-27-24)22(28-30)16-8-10-19(11-9-16)32-18-6-4-3-5-7-18/h2-11,15,17H,1,12-14H2,(H2,25,26,27)
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n/an/a 1.90n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97675
PNG
(US8476284, 43 | US8497277, 15 | US9133201, 15 | US...)
Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H31N7O2/c1-33(2)16-7-11-24(36)34-17-6-8-21(18-34)35-28-25(27(29)30-19-31-28)26(32-35)20-12-14-23(15-13-20)37-22-9-4-3-5-10-22/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,29,30,31)/b11-7+/t21-/m1/s1
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n/an/a 2.5n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97678
PNG
(US8476284, 9 | US8497277, 10 | US8497277, 9 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-12-18(13-15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H2,26,27,28)
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n/an/a 3.60n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM97676
PNG
(US8476284, 5 | US8497277, 5 | US9133201, 5)
Show SMILES C\C=C\C(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C26H26N6O2/c1-2-7-22(33)31-15-6-8-19(16-31)32-26-23(25(27)28-17-29-26)24(30-32)18-11-13-21(14-12-18)34-20-9-4-3-5-10-20/h2-5,7,9-14,17,19H,6,8,15-16H2,1H3,(H2,27,28,29)/b7-2+
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n/an/a 20n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8497277 (2013)


BindingDB Entry DOI: 10.7270/Q2MW2FR5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%