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Patent code US9801872

Compile Data Set for Download or QSAR
Found 35 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))
BDBM350340
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)-7-chloro...)
Show SMILES Clc1ccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C18H14ClN5O3/c1-2-15(25)24-6-5-12(9-24)27-17-13-8-11(19)4-3-10(13)7-14(20-17)16-21-18(26)23-22-16/h2-4,7-8,12H,1,5-6,9H2/t12-/m0/s1
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350338
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)-8-fluoro...)
Show SMILES Fc1cccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C18H14FN5O3/c1-2-14(25)24-7-6-11(9-24)27-17-15-10(4-3-5-12(15)19)8-13(20-17)16-21-18(26)23-22-16/h2-5,8,11H,1,6-7,9H2/t11-/m0/s1
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350343
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)-8-chloro...)
Show SMILES Clc1cccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C18H14ClN5O3/c1-2-14(25)24-7-6-11(9-24)27-17-15-10(4-3-5-12(15)19)8-13(20-17)16-21-18(26)23-22-16/h2-5,8,11H,1,6-7,9H2/t11-/m0/s1
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350339
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-8-fluo...)
Show SMILES Fc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C18H15FN6O2/c1-2-14(26)25-7-6-11(9-25)20-17-15-10(4-3-5-12(15)19)8-13(21-17)16-22-18(27)24-23-16/h2-5,8,11H,1,6-7,9H2,(H,20,21)/t11-/m0/s1
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350321
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)isoquinol...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C18H15N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2/t12-/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350333
PNG
((S)-3-(8-((1-acryloylpyrrolidin-3-yl)amino)-1,7-na...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1nc(cc2cccnc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C17H15N7O2/c1-2-13(25)24-7-5-11(9-24)19-16-14-10(4-3-6-18-14)8-12(20-16)15-21-17(26)23-22-15/h2-4,6,8,11H,1,5,7,9H2,(H,19,20)/t11-/m0/s1
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350344
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-8-chlo...)
Show SMILES Clc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C18H15ClN6O2/c1-2-14(26)25-7-6-11(9-25)20-17-15-10(4-3-5-12(15)19)8-13(21-17)16-22-18(27)24-23-16/h2-5,8,11H,1,6-7,9H2,(H,20,21)/t11-/m0/s1
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350336
PNG
(3-(1-(((3R,4S)-1-acryloyl-4-methylpyrrolidin-3-yl)...)
Show SMILES C[C@H]1CN(C[C@@H]1Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1)C(=O)C=C
Show InChI InChI=1S/C19H17N5O3/c1-3-16(25)24-9-11(2)15(10-24)27-18-13-7-5-4-6-12(13)8-14(20-18)17-21-19(26)23-22-17/h3-8,11,15H,1,9-10H2,2H3/t11-,15-/m0/s1
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350324
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)isoquin...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C18H16N6O2/c1-2-15(25)24-8-7-12(10-24)19-16-13-6-4-3-5-11(13)9-14(20-16)17-21-18(26)23-22-17/h2-6,9,12H,1,7-8,10H2,(H,19,20)/t12-/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350342
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-7-chlo...)
Show SMILES Clc1ccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C18H15ClN6O2/c1-2-15(26)25-6-5-12(9-25)20-16-13-8-11(19)4-3-10(13)7-14(21-16)17-22-18(27)24-23-17/h2-4,7-8,12H,1,5-6,9H2,(H,20,21)/t12-/m0/s1
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350345
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-8-meth...)
Show SMILES COc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C19H18N6O3/c1-3-15(26)25-8-7-12(10-25)20-18-16-11(5-4-6-14(16)28-2)9-13(21-18)17-22-19(27)24-23-17/h3-6,9,12H,1,7-8,10H2,2H3,(H,20,21)/t12-/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350346
PNG
((S)-3-(6-((1-acryloylpyrrolidin-3-yl)oxy)-4-methyl...)
Show SMILES Cc1cc(O[C@H]2CCN(C2)C(=O)C=C)nc(c1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C15H15N5O3/c1-3-13(21)20-5-4-10(8-20)23-12-7-9(2)6-11(16-12)14-17-15(22)19-18-14/h3,6-7,10H,1,4-5,8H2,2H3/t10-/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350350
PNG
((S)-5-(1-((1-(2-chloroacetyl)pyrrolidin-3-yl)amino...)
Show SMILES ClCC(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C17H15ClN6O2/c18-8-14(25)24-6-5-11(9-24)19-15-12-4-2-1-3-10(12)7-13(20-15)16-21-17(26)23-22-16/h1-4,7,11H,5-6,8-9H2,(H,19,20)/t11-/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350341
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-7-fluo...)
Show SMILES Fc1ccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C18H15FN6O2/c1-2-15(26)25-6-5-12(9-25)20-16-13-8-11(19)4-3-10(13)7-14(21-16)17-22-18(27)24-23-17/h2-4,7-8,12H,1,5-6,9H2,(H,20,21)/t12-/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350332
PNG
((S)-3-(8-((1-acryloylpyrrolidin-3-yl)oxy)-1,7-naph...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2cccnc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C17H14N6O3/c1-2-13(24)23-7-5-11(9-23)26-16-14-10(4-3-6-18-14)8-12(19-16)15-20-17(25)22-21-15/h2-4,6,8,11H,1,5,7,9H2/t11-/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350327
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)(methyl)amino...)
Show SMILES CN([C@H]1CCN(C1)C(=O)C=C)c1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C19H18N6O2/c1-3-16(26)25-9-8-13(11-25)24(2)18-14-7-5-4-6-12(14)10-15(20-18)17-21-19(27)23-22-17/h3-7,10,13H,1,8-9,11H2,2H3/t13-/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350348
PNG
((S)-3-(6-((1-acryloylpyrrolidin-3-yl)oxy)-5-methyl...)
Show SMILES Cc1ccc(nc1O[C@H]1CCN(C1)C(=O)C=C)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C15H15N5O3/c1-3-12(21)20-7-6-10(8-20)23-14-9(2)4-5-11(16-14)13-17-15(22)19-18-13/h3-5,10H,1,6-8H2,2H3/t10-/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350334
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)-7-fluoro...)
Show SMILES Fc1ccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C18H14FN5O3/c1-2-15(25)24-6-5-12(9-24)27-17-13-8-11(19)4-3-10(13)7-14(20-17)16-21-18(26)23-22-16/h2-4,7-8,12H,1,5-6,9H2/t12-/m0/s1
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n/an/a<6.31n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350335
PNG
(3-(1-(((3R,4S)-1-acryloyl-4-methylpyrrolidin-3-yl)...)
Show SMILES C[C@@H]1CN(C[C@H]1Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1)C(=O)C=C
Show InChI InChI=1S/C19H17N5O3/c1-3-16(25)24-9-11(2)15(10-24)27-18-13-7-5-4-6-12(13)8-14(20-18)17-21-19(26)23-22-17/h3-8,11,15H,1,9-10H2,2H3/t11-,15-/m1/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350330
PNG
((S,E)-5-(1-((1-(4-(dimethylamino)but-2-enoyl)pyrro...)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C21H22N6O3/c1-26(2)10-5-8-18(28)27-11-9-15(13-27)30-20-16-7-4-3-6-14(16)12-17(22-20)19-23-21(29)25-24-19/h3-8,12,15H,9-11,13H2,1-2H3/b8-5+/t15-/m0/s1
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n/an/a 6.31n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350349
PNG
((S)-5-(1-((1-(2-chloroacetyl)pyrrolidin-3-yl)oxy)i...)
Show SMILES ClCC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C17H14ClN5O3/c18-8-14(24)23-6-5-11(9-23)26-16-12-4-2-1-3-10(12)7-13(19-16)15-20-17(25)22-21-15/h1-4,7,11H,5-6,8-9H2/t11-/m0/s1
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n/an/a<6.31n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350320
PNG
(N-(1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)i...)
Show SMILES C=CC(=O)NC1CCN(C1)c1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C18H16N6O2/c1-2-15(25)19-12-7-8-24(10-12)17-13-6-4-3-5-11(13)9-14(20-17)16-21-18(26)23-22-16/h2-6,9,12H,1,7-8,10H2,(H,19,25)
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n/an/a<7.94n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350322
PNG
((S)-3-(1-(((1-acryloylpyrrolidin-2-yl)methyl)amino...)
Show SMILES C=CC(=O)N1CCC[C@H]1CNc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C19H18N6O2/c1-2-16(26)25-9-5-7-13(25)11-20-17-14-8-4-3-6-12(14)10-15(21-17)18-22-19(27)24-23-18/h2-4,6,8,10,13H,1,5,7,9,11H2,(H,20,21)/t13-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350329
PNG
((S)-3-(1-(((1-acryloylpyrrolidin-3-yl)oxy)methyl)i...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)OCc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C19H17N5O3/c1-2-17(25)24-8-7-13(10-24)27-11-16-14-6-4-3-5-12(14)9-15(20-16)18-21-19(26)23-22-18/h2-6,9,13H,1,7-8,10-11H2/t13-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350323
PNG
((S)-3-(1-((1-acryloylpyrrolidin-2-yl)methoxy)isoqu...)
Show SMILES C=CC(=O)N1CCC[C@H]1COc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C19H17N5O3/c1-2-16(25)24-9-5-7-13(24)11-27-18-14-8-4-3-6-12(14)10-15(20-18)17-21-19(26)23-22-17/h2-4,6,8,10,13H,1,5,7,9,11H2/t13-/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350325
PNG
((R)-3-(1-((1-acryloylpyrrolidin-2-yl)methoxy)isoqu...)
Show SMILES C=CC(=O)N1CCC[C@@H]1COc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C19H17N5O3/c1-2-16(25)24-9-5-7-13(24)11-27-18-14-8-4-3-6-12(14)10-15(20-18)17-21-19(26)23-22-17/h2-4,6,8,10,13H,1,5,7,9,11H2/t13-/m1/s1
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n/an/a<12.6n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350331
PNG
((S,E)-3-(1-((1-(but-2-enoyl)pyrrolidin-3-yl)amino)...)
Show SMILES C\C=C\C(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C19H18N6O2/c1-2-5-16(26)25-9-8-13(11-25)20-17-14-7-4-3-6-12(14)10-15(21-17)18-22-19(27)24-23-18/h2-7,10,13H,8-9,11H2,1H3,(H,20,21)/b5-2+/t13-/m0/s1
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n/an/a 25.1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350326
PNG
((S)-3-(1-((1-methacryloylpyrrolidin-3-yl)amino)iso...)
Show SMILES CC(=C)C(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C19H18N6O2/c1-11(2)18(26)25-8-7-13(10-25)20-16-14-6-4-3-5-12(14)9-15(21-16)17-22-19(27)24-23-17/h3-6,9,13H,1,7-8,10H2,2H3,(H,20,21)/t13-/m0/s1
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n/an/a 31.6n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350351
PNG
((S)-5-(1-((1-acryloylpiperidin-3-yl)oxy)isoquinoli...)
Show SMILES C=CC(=O)N1CCC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C19H17N5O3/c1-2-16(25)24-9-5-7-13(11-24)27-18-14-8-4-3-6-12(14)10-15(20-18)17-21-19(26)23-22-17/h2-4,6,8,10,13H,1,5,7,9,11H2/t13-/m0/s1
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n/an/a 31.6n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350347
PNG
((S)-3-(6-((1-acryloylpyrrolidin-3-yl)oxy)pyridin-2...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Oc1cccc(n1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C14H13N5O3/c1-2-12(20)19-7-6-9(8-19)22-11-5-3-4-10(15-11)13-16-14(21)18-17-13/h2-5,9H,1,6-8H2/t9-/m0/s1
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n/an/a 63.1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350318
PNG
((R)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)isoquinol...)
Show SMILES C=CC(=O)N1CC[C@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C18H15N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2/t12-/m1/s1
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n/an/a 79.4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350335
PNG
(3-(1-(((3R,4S)-1-acryloyl-4-methylpyrrolidin-3-yl)...)
Show SMILES C[C@@H]1CN(C[C@H]1Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1)C(=O)C=C
Show InChI InChI=1S/C19H17N5O3/c1-3-16(25)24-9-11(2)15(10-24)27-18-13-7-5-4-6-12(13)8-14(20-18)17-21-19(26)23-22-17/h3-8,11,15H,1,9-10H2,2H3/t11-,15-/m1/s1
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n/an/a 126n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350328
PNG
((S)-3-(1-((1-methacryloylpyrrolidin-3-yl)oxy)isoqu...)
Show SMILES CC(=C)C(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C19H17N5O3/c1-11(2)18(25)24-8-7-13(10-24)27-17-14-6-4-3-5-12(14)9-15(20-17)16-21-19(26)23-22-16/h3-6,9,13H,1,7-8,10H2,2H3/t13-/m0/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350317
PNG
((R)-3-(1-((1-methacryloylpyrrolidin-3-yl)oxy)isoqu...)
Show SMILES CC(=C)C(=O)N1CC[C@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C19H17N5O3/c1-11(2)18(25)24-8-7-13(10-24)27-17-14-6-4-3-5-12(14)9-15(20-17)16-21-19(26)23-22-16/h3-6,9,13H,1,7-8,10H2,2H3/t13-/m1/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350319
PNG
((R,E)-3-(1-((1-(but-2-enoyl)pyrrolidin-3-yl)oxy)is...)
Show SMILES C\C=C\C(=O)N1CC[C@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1S/C19H17N5O3/c1-2-5-16(25)24-9-8-13(11-24)27-18-14-7-4-3-6-12(14)10-15(20-18)17-21-19(26)23-22-17/h2-7,10,13H,8-9,11H2,1H3/b5-2+/t13-/m1/s1
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%