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Compile Data Set for Download or QSAR

Found 1748 hits with Last Name = 'maishal' and Initial = 'tk'   
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))		BDBM377365
PNG
(US10266491, Example 33 | US10676434, Example 33 | ...)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H23N3O4S/c1-4-32(30,31)27-16-7-5-6-14(12-16)17-10-11-19(23(25)28)22-21(17)18-9-8-15(24(2,3)29)13-20(18)26-22/h4-13,26-27,29H,1H2,2-3H3,(H2,25,28)
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377365
PNG
(US10266491, Example 33 | US10676434, Example 33 | ...)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H23N3O4S/c1-4-32(30,31)27-16-7-5-6-14(12-16)17-10-11-19(23(25)28)22-21(17)18-9-8-15(24(2,3)29)13-20(18)26-22/h4-13,26-27,29H,1H2,2-3H3,(H2,25,28)
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377365
PNG
(US10266491, Example 33 | US10676434, Example 33 | ...)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H23N3O4S/c1-4-32(30,31)27-16-7-5-6-14(12-16)17-10-11-19(23(25)28)22-21(17)18-9-8-15(24(2,3)29)13-20(18)26-22/h4-13,26-27,29H,1H2,2-3H3,(H2,25,28)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377391
PNG
(US10266491, Example 59 | US10676434, Example 60 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O |(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;5.09,-2.69,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-6.26,.73,;-7.75,-.41,;-6.66,-2.3,)|
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377391
PNG
(US10266491, Example 59 | US10676434, Example 60 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O |(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;5.09,-2.69,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-6.26,.73,;-7.75,-.41,;-6.66,-2.3,)|
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377392
PNG
(US10266491, Example 60)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O |(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;5.09,-2.69,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-7.75,-.41,;-6.73,.73,;-6.66,-2.3,)|
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377413
PNG
(US10266491, Example 95 | US10676434, Example 95 | ...)
Show SMILES NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C24H18FN3O2/c1-2-20(29)28-10-9-13-7-8-14(11-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-5-3-4-6-18(15)27-23/h2-8,11-12,27H,1,9-10H2,(H2,26,30)
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377413
PNG
(US10266491, Example 95 | US10676434, Example 95 | ...)
Show SMILES NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C24H18FN3O2/c1-2-20(29)28-10-9-13-7-8-14(11-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-5-3-4-6-18(15)27-23/h2-8,11-12,27H,1,9-10H2,(H2,26,30)
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377413
PNG
(US10266491, Example 95 | US10676434, Example 95 | ...)
Show SMILES NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C24H18FN3O2/c1-2-20(29)28-10-9-13-7-8-14(11-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-5-3-4-6-18(15)27-23/h2-8,11-12,27H,1,9-10H2,(H2,26,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377467
PNG
(4-(1-acryloyl-1,2,5,6- tetrahydropyridin-3-yl)-3- ...)
Show SMILES NC(=O)c1cc(F)c(C2=CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |t:8|
Show InChI InChI=1S/C22H17F4N3O2/c1-2-17(30)29-7-3-4-11(10-29)18-15(23)9-14(21(27)31)20-19(18)13-6-5-12(22(24,25)26)8-16(13)28-20/h2,4-6,8-9,28H,1,3,7,10H2,(H2,27,31)
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377467
PNG
(4-(1-acryloyl-1,2,5,6- tetrahydropyridin-3-yl)-3- ...)
Show SMILES NC(=O)c1cc(F)c(C2=CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |t:8|
Show InChI InChI=1S/C22H17F4N3O2/c1-2-17(30)29-7-3-4-11(10-29)18-15(23)9-14(21(27)31)20-19(18)13-6-5-12(22(24,25)26)8-16(13)28-20/h2,4-6,8-9,28H,1,3,7,10H2,(H2,27,31)
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377415
PNG
(US10266491, Example 97 | US10266491, Example 98 | ...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377467
PNG
(4-(1-acryloyl-1,2,5,6- tetrahydropyridin-3-yl)-3- ...)
Show SMILES NC(=O)c1cc(F)c(C2=CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |t:8|
Show InChI InChI=1S/C22H17F4N3O2/c1-2-17(30)29-7-3-4-11(10-29)18-15(23)9-14(21(27)31)20-19(18)13-6-5-12(22(24,25)26)8-16(13)28-20/h2,4-6,8-9,28H,1,3,7,10H2,(H2,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377415
PNG
(US10266491, Example 97 | US10266491, Example 98 | ...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377415
PNG
(US10266491, Example 97 | US10266491, Example 98 | ...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377366
PNG
(US10266491, Example 34 | US10676434, Example 34 | ...)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H22FN3O4S/c1-4-33(31,32)28-15-7-5-6-13(10-15)20-18(25)12-17(23(26)29)22-21(20)16-9-8-14(24(2,3)30)11-19(16)27-22/h4-12,27-28,30H,1H2,2-3H3,(H2,26,29)
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377366
PNG
(US10266491, Example 34 | US10676434, Example 34 | ...)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H22FN3O4S/c1-4-33(31,32)28-15-7-5-6-13(10-15)20-18(25)12-17(23(26)29)22-21(20)16-9-8-14(24(2,3)30)11-19(16)27-22/h4-12,27-28,30H,1H2,2-3H3,(H2,26,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377366
PNG
(US10266491, Example 34 | US10676434, Example 34 | ...)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H22FN3O4S/c1-4-33(31,32)28-15-7-5-6-13(10-15)20-18(25)12-17(23(26)29)22-21(20)16-9-8-14(24(2,3)30)11-19(16)27-22/h4-12,27-28,30H,1H2,2-3H3,(H2,26,29)
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377404
PNG
(US10266491, Example 76 | US10676434, Example 76 | ...)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C#CC2CC2)c2c3ccccc3[nH]c12 |r|
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377404
PNG
(US10266491, Example 76 | US10676434, Example 76 | ...)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C#CC2CC2)c2c3ccccc3[nH]c12 |r|
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377404
PNG
(US10266491, Example 76 | US10676434, Example 76 | ...)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C#CC2CC2)c2c3ccccc3[nH]c12 |r|
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377370
PNG
(US10266491, Example 38 | US10676434, Example 38 | ...)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C26H24FN3O3/c1-5-21(31)30(4)16-8-6-7-14(11-16)22-19(27)13-18(25(28)32)24-23(22)17-10-9-15(26(2,3)33)12-20(17)29-24/h5-13,29,33H,1H2,2-4H3,(H2,28,32)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377370
PNG
(US10266491, Example 38 | US10676434, Example 38 | ...)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C26H24FN3O3/c1-5-21(31)30(4)16-8-6-7-14(11-16)22-19(27)13-18(25(28)32)24-23(22)17-10-9-15(26(2,3)33)12-20(17)29-24/h5-13,29,33H,1H2,2-4H3,(H2,28,32)
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377370
PNG
(US10266491, Example 38 | US10676434, Example 38 | ...)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C26H24FN3O3/c1-5-21(31)30(4)16-8-6-7-14(11-16)22-19(27)13-18(25(28)32)24-23(22)17-10-9-15(26(2,3)33)12-20(17)29-24/h5-13,29,33H,1H2,2-4H3,(H2,28,32)
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377403
PNG
(US10266491, Example 118 | US10266491, Example 75 |...)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |r|
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377403
PNG
(US10266491, Example 118 | US10266491, Example 75 |...)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |r|
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377403
PNG
(US10266491, Example 118 | US10266491, Example 75 |...)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |r|
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377363
PNG
(US10266491, Example 31 | US10676434, Example 31 | ...)
Show SMILES CN(c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C
Show InChI InChI=1S/C25H24FN3O4S/c1-5-34(32,33)29(4)16-8-6-7-14(11-16)21-19(26)13-18(24(27)30)23-22(21)17-10-9-15(25(2,3)31)12-20(17)28-23/h5-13,28,31H,1H2,2-4H3,(H2,27,30)
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377363
PNG
(US10266491, Example 31 | US10676434, Example 31 | ...)
Show SMILES CN(c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C
Show InChI InChI=1S/C25H24FN3O4S/c1-5-34(32,33)29(4)16-8-6-7-14(11-16)21-19(26)13-18(24(27)30)23-22(21)17-10-9-15(25(2,3)31)12-20(17)28-23/h5-13,28,31H,1H2,2-4H3,(H2,27,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377363
PNG
(US10266491, Example 31 | US10676434, Example 31 | ...)
Show SMILES CN(c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C
Show InChI InChI=1S/C25H24FN3O4S/c1-5-34(32,33)29(4)16-8-6-7-14(11-16)21-19(26)13-18(24(27)30)23-22(21)17-10-9-15(25(2,3)31)12-20(17)28-23/h5-13,28,31H,1H2,2-4H3,(H2,27,30)
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM450476
PNG
(Cis-4-(1-acryloylhexahydropyrrolo[3,4-b]pyrrol-5(1...)
Show SMILES NC(=O)c1cc(F)c(N2C[C@H]3CCN([C@H]3C2)C(=O)C=C)c2c3ccccc3[nH]c12 |r|
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM427106
PNG
((S)-1-(2-cyclopropyl-4-(quinolin-4-yl)phenoxy)-2,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1cccc2ncccc12 |r|
Show InChI InChI=1S/C25H30N2O/c1-17(2)15-25(3,26)16-28-24-12-11-19(14-22(24)18-9-10-18)20-6-4-8-23-21(20)7-5-13-27-23/h4-8,11-14,17-18H,9-10,15-16,26H2,1-3H3/t25-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10544120 (2020)


BindingDB Entry DOI: 10.7270/Q2RF5XCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377430
PNG
(Cis-4-(1-acryloylhexahydropyrrolo[3,4-b]pyrrol-5(1...)
Show SMILES NC(=O)c1cc(F)c(N2CC3CCN(C3C2)C(=O)C=C)c2c3ccccc3[nH]c12
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377403
PNG
(US10266491, Example 118 | US10266491, Example 75 |...)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |r|
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377403
PNG
(US10266491, Example 118 | US10266491, Example 75 |...)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |r|
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377430
PNG
(Cis-4-(1-acryloylhexahydropyrrolo[3,4-b]pyrrol-5(1...)
Show SMILES NC(=O)c1cc(F)c(N2CC3CCN(C3C2)C(=O)C=C)c2c3ccccc3[nH]c12
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377403
PNG
(US10266491, Example 118 | US10266491, Example 75 |...)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12 |r|
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377399
PNG
(US10266491, Example 69 | US10676434, Example 69 | ...)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C=C)c2c3ccccc3[nH]c12 |r|
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377399
PNG
(US10266491, Example 69 | US10676434, Example 69 | ...)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C=C)c2c3ccccc3[nH]c12 |r|
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377399
PNG
(US10266491, Example 69 | US10676434, Example 69 | ...)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C=C)c2c3ccccc3[nH]c12 |r|
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377389
PNG
(US10266491, Example 57 | US10266491, Example 58 | ...)
Show SMILES CN(C)C(=O)C1CCc2c(C1)[nH]c1c(cc(Cl)c(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O |(-5.38,-3.39,;-6.46,-2.3,;-7.95,-2.7,;-6.07,-.81,;-7.15,.28,;-4.58,-.41,;-3.67,-1.66,;-2.14,-1.5,;-1.51,-.09,;-2.42,1.15,;-3.95,.99,;-1.51,2.4,;-.05,1.93,;1.28,2.69,;2.62,1.93,;2.62,.38,;3.95,-.38,;1.28,-.38,;1.28,-1.93,;-.05,-2.69,;-.05,-4.23,;1.28,-5,;2.62,-4.23,;3.95,-5,;5.28,-4.23,;5.28,-2.69,;6.62,-5,;7.95,-4.23,;2.62,-2.69,;3.95,-1.93,;-.05,.38,;1.28,4.23,;2.62,5,;-.05,5,)|
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n/an/a 0.0750n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377389
PNG
(US10266491, Example 57 | US10266491, Example 58 | ...)
Show SMILES CN(C)C(=O)C1CCc2c(C1)[nH]c1c(cc(Cl)c(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O |(-5.38,-3.39,;-6.46,-2.3,;-7.95,-2.7,;-6.07,-.81,;-7.15,.28,;-4.58,-.41,;-3.67,-1.66,;-2.14,-1.5,;-1.51,-.09,;-2.42,1.15,;-3.95,.99,;-1.51,2.4,;-.05,1.93,;1.28,2.69,;2.62,1.93,;2.62,.38,;3.95,-.38,;1.28,-.38,;1.28,-1.93,;-.05,-2.69,;-.05,-4.23,;1.28,-5,;2.62,-4.23,;3.95,-5,;5.28,-4.23,;5.28,-2.69,;6.62,-5,;7.95,-4.23,;2.62,-2.69,;3.95,-1.93,;-.05,.38,;1.28,4.23,;2.62,5,;-.05,5,)|
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377389
PNG
(US10266491, Example 57 | US10266491, Example 58 | ...)
Show SMILES CN(C)C(=O)C1CCc2c(C1)[nH]c1c(cc(Cl)c(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O |(-5.38,-3.39,;-6.46,-2.3,;-7.95,-2.7,;-6.07,-.81,;-7.15,.28,;-4.58,-.41,;-3.67,-1.66,;-2.14,-1.5,;-1.51,-.09,;-2.42,1.15,;-3.95,.99,;-1.51,2.4,;-.05,1.93,;1.28,2.69,;2.62,1.93,;2.62,.38,;3.95,-.38,;1.28,-.38,;1.28,-1.93,;-.05,-2.69,;-.05,-4.23,;1.28,-5,;2.62,-4.23,;3.95,-5,;5.28,-4.23,;5.28,-2.69,;6.62,-5,;7.95,-4.23,;2.62,-2.69,;3.95,-1.93,;-.05,.38,;1.28,4.23,;2.62,5,;-.05,5,)|
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377347
PNG
(US10266491, Example 15 | US10676434, Example 15 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C#N
Show InChI InChI=1S/C24H18N4O2/c1-3-21(29)27-19-6-4-5-15(13(19)2)16-9-10-18(24(26)30)23-22(16)17-8-7-14(12-25)11-20(17)28-23/h3-11,28H,1H2,2H3,(H2,26,30)(H,27,29)
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n/an/a 0.0760n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377347
PNG
(US10266491, Example 15 | US10676434, Example 15 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C#N
Show InChI InChI=1S/C24H18N4O2/c1-3-21(29)27-19-6-4-5-15(13(19)2)16-9-10-18(24(26)30)23-22(16)17-8-7-14(12-25)11-20(17)28-23/h3-11,28H,1H2,2H3,(H2,26,30)(H,27,29)
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n/an/a 0.0760n/an/an/an/an/an/a


TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377347
PNG
(US10266491, Example 15 | US10676434, Example 15 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C#N
Show InChI InChI=1S/C24H18N4O2/c1-3-21(29)27-19-6-4-5-15(13(19)2)16-9-10-18(24(26)30)23-22(16)17-8-7-14(12-25)11-20(17)28-23/h3-11,28H,1H2,2H3,(H2,26,30)(H,27,29)
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n/an/a 0.0760n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377340
PNG
(US10266491, Example 8 | US10676434, Example 8 | US...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CO)CCc3c12 |(3.21,-1.93,;1.87,-2.69,;1.87,-4.23,;3.21,-5,;4.54,-4.23,;4.54,-2.69,;5.87,-5,;7.21,-4.23,;.54,-5,;-.79,-4.23,;-.79,-2.69,;.54,-1.93,;.54,-.38,;1.87,.38,;3.21,-.38,;1.87,1.93,;.54,2.69,;.54,4.23,;1.87,5,;-.79,5,;-.79,1.93,;-2.26,2.4,;-3.16,1.15,;-4.7,.99,;-5.32,-.41,;-6.81,-.81,;-7.21,-2.3,;-4.42,-1.66,;-2.89,-1.5,;-2.26,-.09,;-.79,.38,)|
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n/an/a 0.0780n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377340
PNG
(US10266491, Example 8 | US10676434, Example 8 | US...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CO)CCc3c12 |(3.21,-1.93,;1.87,-2.69,;1.87,-4.23,;3.21,-5,;4.54,-4.23,;4.54,-2.69,;5.87,-5,;7.21,-4.23,;.54,-5,;-.79,-4.23,;-.79,-2.69,;.54,-1.93,;.54,-.38,;1.87,.38,;3.21,-.38,;1.87,1.93,;.54,2.69,;.54,4.23,;1.87,5,;-.79,5,;-.79,1.93,;-2.26,2.4,;-3.16,1.15,;-4.7,.99,;-5.32,-.41,;-6.81,-.81,;-7.21,-2.3,;-4.42,-1.66,;-2.89,-1.5,;-2.26,-.09,;-.79,.38,)|
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n/an/a 0.0780n/an/an/an/an/an/a



Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377340
PNG
(US10266491, Example 8 | US10676434, Example 8 | US...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CO)CCc3c12 |(3.21,-1.93,;1.87,-2.69,;1.87,-4.23,;3.21,-5,;4.54,-4.23,;4.54,-2.69,;5.87,-5,;7.21,-4.23,;.54,-5,;-.79,-4.23,;-.79,-2.69,;.54,-1.93,;.54,-.38,;1.87,.38,;3.21,-.38,;1.87,1.93,;.54,2.69,;.54,4.23,;1.87,5,;-.79,5,;-.79,1.93,;-2.26,2.4,;-3.16,1.15,;-4.7,.99,;-5.32,-.41,;-6.81,-.81,;-7.21,-2.3,;-4.42,-1.66,;-2.89,-1.5,;-2.26,-.09,;-.79,.38,)|
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n/an/a 0.0780n/an/an/an/an/an/a


TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377345
PNG
(US10266491, Example 13 | US10676434, Example 13 | ...)
Show SMILES Cc1c(NS(=O)(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
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n/an/a 0.0790n/an/an/an/an/an/a


TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
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