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Compile Data Set for Download or QSAR

Found 1702 hits of ic50 data for polymerid = 1846,50006599   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM122417
PNG
(US8729078, I-27)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cc4)S(C)(=O)=O)n3)c2=O)c1
Show InChI InChI=1S/C30H29FN6O5S/c1-30(2,3)18-12-17-14-33-37(29(40)26(17)23(31)13-18)25-7-5-6-24(22(25)16-38)36-15-21(27(32)39)28(35-36)34-19-8-10-20(11-9-19)43(4,41)42/h5-15,38H,16H2,1-4H3,(H2,32,39)(H,34,35)
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n/an/a 0.0900n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122415
PNG
(US8729078, I-25)
Show SMILES CN1CCn2nc(Nc3nn(cc3C(N)=O)-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C30H32FN9O3/c1-30(2,3)18-10-17-13-33-40(29(43)26(17)22(31)11-18)24-7-5-6-23(21(24)16-41)39-15-20(27(32)42)28(36-39)34-25-12-19-14-37(4)8-9-38(19)35-25/h5-7,10-13,15,41H,8-9,14,16H2,1-4H3,(H2,32,42)(H,34,35,36)
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n/an/a 0.0900n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122442
PNG
(US8729078, I-53)
Show SMILES CC(=O)c1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)cc1
Show InChI InChI=1S/C31H30N6O4/c1-18(39)19-8-11-22(12-9-19)34-29-24(28(32)40)16-36(35-29)26-6-5-7-27(25(26)17-38)37-30(41)23-13-10-21(31(2,3)4)14-20(23)15-33-37/h5-16,38H,17H2,1-4H3,(H2,32,40)(H,34,35)
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n/an/a 0.120n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM250014
PNG
(US9447106, 136)
Show SMILES NC(=O)c1c(nn2c(c[nH]c12)C1CCN(CC1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H25N5O3/c1-2-22(32)30-14-12-17(13-15-30)21-16-28-26-23(25(27)33)24(29-31(21)26)18-8-10-20(11-9-18)34-19-6-4-3-5-7-19/h2-11,16-17,28H,1,12-15H2,(H2,27,33)
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n/an/a 0.130n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9447106 (2016)

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


(Homo sapiens (human))
BDBM249925
PNG
(US9447106, 52)
Show SMILES NC(=O)c1c(nn2c3CN(CCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H21N5O3/c1-2-20(30)28-13-12-18-19(14-28)29-24(26-18)21(23(25)31)22(27-29)15-8-10-17(11-9-15)32-16-6-4-3-5-7-16/h2-11,26H,1,12-14H2,(H2,25,31)
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n/an/a 0.140n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9447106 (2016)

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


(Homo sapiens (human))
BDBM250047
PNG
(US9447106, 169)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1nn2C(CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
Show InChI InChI=1/C23H21Cl2N5O3/c1-3-18(31)28-16-7-5-4-6-13(16)17-8-9-27-23-19(22(26)32)20(29-30(17)23)12-10-14(24)21(33-2)15(25)11-12/h3-7,10-11,17,27H,1,8-9H2,2H3,(H2,26,32)(H,28,31)
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n/an/a 0.150n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9447106 (2016)

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


(Homo sapiens (human))
BDBM249997
PNG
(US9447106, 123)
Show SMILES NC(=O)c1c(nn2c3CN(CCCc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N5O3/c1-2-21(31)29-14-6-9-19-20(15-29)30-25(27-19)22(24(26)32)23(28-30)16-10-12-18(13-11-16)33-17-7-4-3-5-8-17/h2-5,7-8,10-13,27H,1,6,9,14-15H2,(H2,26,32)
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n/an/a 0.150n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9447106 (2016)

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


(Homo sapiens (human))
BDBM122428
PNG
(US8729078, I-38)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)S(C)(=O)=O)n3)c2=O)c1
Show InChI InChI=1S/C29H28FN7O5S/c1-29(2,3)17-10-16-12-33-37(28(40)25(16)21(30)11-17)23-7-5-6-22(20(23)15-38)36-14-19(26(31)39)27(35-36)34-24-9-8-18(13-32-24)43(4,41)42/h5-14,38H,15H2,1-4H3,(H2,31,39)(H,32,34,35)
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n/an/a 0.170n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM249935
PNG
(US9447106, 64)
Show SMILES CN(C)C\C=C\C(=O)N1CCc2c(C1)[nH]c1c(C(N)=O)c(nn21)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H28N6O3/c1-31(2)15-6-9-23(34)32-16-14-22-21(17-32)29-27-24(26(28)35)25(30-33(22)27)18-10-12-20(13-11-18)36-19-7-4-3-5-8-19/h3-13,29H,14-17H2,1-2H3,(H2,28,35)/b9-6+
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n/an/a 0.170n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9447106 (2016)

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


(Homo sapiens (human))
BDBM230130
PNG
(US9334290, 60 | US9334290, 61 | US9334290, 62)
Show SMILES Cn1c2c(F)cccc2c(=O)n(-c2cccc(c2Cl)-c2c(F)cc(C(N)=O)c3[nH]c4cc(ccc4c23)C(C)(C)O)c1=O
Show InChI InChI=1S/C31H23ClF2N4O4/c1-31(2,42)14-10-11-15-21(12-14)36-26-18(28(35)39)13-20(34)23(24(15)26)16-6-5-9-22(25(16)32)38-29(40)17-7-4-8-19(33)27(17)37(3)30(38)41/h4-13,36,42H,1-3H3,(H2,35,39)
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n/an/a 0.180n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM122429
PNG
(US8729078, I-39)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)C#N)n3)c2=O)c1
Show InChI InChI=1S/C29H25FN8O3/c1-29(2,3)18-9-17-13-34-38(28(41)25(17)21(30)10-18)23-6-4-5-22(20(23)15-39)37-14-19(26(32)40)27(36-37)35-24-8-7-16(11-31)12-33-24/h4-10,12-14,39H,15H2,1-3H3,(H2,32,40)(H,33,35,36)
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n/an/a 0.180n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122414
PNG
(US8729078, I-24)
Show SMILES CC(C)(CN1CCC1)Oc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1
Show InChI InChI=1S/C35H39FN8O4/c1-34(2,3)22-14-21-16-39-44(33(47)30(21)26(36)15-22)28-9-6-8-27(25(28)19-45)43-18-24(31(37)46)32(41-43)40-29-11-10-23(17-38-29)48-35(4,5)20-42-12-7-13-42/h6,8-11,14-18,45H,7,12-13,19-20H2,1-5H3,(H2,37,46)(H,38,40,41)
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n/an/a 0.180n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM249934
PNG
(US9447106, 63)
Show SMILES NC(=O)c1c(nn2c3CCN(Cc3[nH]c12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H21N5O3/c1-2-20(30)28-13-12-19-18(14-28)26-24-21(23(25)31)22(27-29(19)24)15-8-10-17(11-9-15)32-16-6-4-3-5-7-16/h2-11,26H,1,12-14H2,(H2,25,31)
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n/an/a 0.180n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9447106 (2016)

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


(Homo sapiens (human))
BDBM230150
PNG
(US9334290, 31)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-20(32)7-5-11-36(24)30(37)40)26-21(33)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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n/an/a 0.190n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM249927
PNG
(US9447106, 54)
Show SMILES CN(C)C\C=C\C(=O)N1CCc2[nH]c3c(C(N)=O)c(nn3c2C1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H28N6O3/c1-31(2)15-6-9-23(34)32-16-14-21-22(17-32)33-27(29-21)24(26(28)35)25(30-33)18-10-12-20(13-11-18)36-19-7-4-3-5-8-19/h3-13,29H,14-17H2,1-2H3,(H2,28,35)/b9-6+
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n/an/a 0.190n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9447106 (2016)

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


(Homo sapiens (human))
BDBM230154
PNG
(US9334290, 41)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24F2N4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-20(32)7-5-11-36(24)30(37)40)26-21(33)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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n/an/a 0.200n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM122418
PNG
(US8729078, I-28)
Show SMILES Cn1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)n1
Show InChI InChI=1S/C27H27FN8O3/c1-27(2,3)16-10-15-12-30-36(26(39)23(15)19(28)11-16)21-7-5-6-20(18(21)14-37)35-13-17(24(29)38)25(33-35)31-22-8-9-34(4)32-22/h5-13,37H,14H2,1-4H3,(H2,29,38)(H,31,32,33)
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n/an/a 0.220n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM230106
PNG
(US9334290, 30)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-20(32)7-5-11-36(24)30(37)40)26-21(33)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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n/an/a 0.220n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM250008
PNG
(US9447106, 133a (peak 1))
Show SMILES COc1cc(ccc1C)-c1nn2[C@H](CCNc2c1C(N)=O)c1ccccc1NC(=O)C=C
Show InChI InChI=1/C24H25N5O3/c1-4-20(30)27-17-8-6-5-7-16(17)18-11-12-26-24-21(23(25)31)22(28-29(18)24)15-10-9-14(2)19(13-15)32-3/h4-10,13,18,26H,1,11-12H2,2-3H3,(H2,25,31)(H,27,30)/t18-/s2
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n/an/a 0.230n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9447106 (2016)

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


(Homo sapiens (human))
BDBM122423
PNG
(US8729078, I-33)
Show SMILES Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1
Show InChI InChI=1S/C29H28FN7O3/c1-16-8-9-24(32-12-16)34-27-19(26(31)39)14-36(35-27)22-6-5-7-23(20(22)15-38)37-28(40)25-17(13-33-37)10-18(11-21(25)30)29(2,3)4/h5-14,38H,15H2,1-4H3,(H2,31,39)(H,32,34,35)
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n/an/a 0.240n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122420
PNG
(US8729078, I-30)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(F)cn4)n3)c2=O)c1
Show InChI InChI=1S/C28H25F2N7O3/c1-28(2,3)16-9-15-11-33-37(27(40)24(15)20(30)10-16)22-6-4-5-21(19(22)14-38)36-13-18(25(31)39)26(35-36)34-23-8-7-17(29)12-32-23/h4-13,38H,14H2,1-3H3,(H2,31,39)(H,32,34,35)
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n/an/a 0.240n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM230108
PNG
(US9334290, 34 | US9334290, 35)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-21(33)7-5-11-36(24)30(37)40)26-20(32)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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n/an/a 0.25n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230128
PNG
(US9334290, 57)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O
Show InChI InChI=1/C31H27ClF2N4O4/c1-13-16(5-4-6-23(13)38-29(40)19-10-15(33)11-21(34)26(19)37-30(38)41)24-20(32)12-18(28(35)39)27-25(24)17-8-7-14(31(2,3)42)9-22(17)36-27/h4-6,10-12,14,36,42H,7-9H2,1-3H3,(H2,35,39)(H,37,41)/t14-/s2
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n/an/a 0.25n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230126
PNG
(US9334290, 55 | US9334290, 56)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O
Show InChI InChI=1/C31H28ClFN4O4/c1-14-16(6-5-9-23(14)37-29(39)18-7-4-8-21(33)26(18)36-30(37)40)24-20(32)13-19(28(34)38)27-25(24)17-11-10-15(31(2,3)41)12-22(17)35-27/h4-9,13,15,35,41H,10-12H2,1-3H3,(H2,34,38)(H,36,40)/t15-/s2
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n/an/a 0.260n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230151
PNG
(US9334290, 33)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24Cl2N4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-20(32)7-5-11-36(24)30(37)40)26-21(33)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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n/an/a 0.260n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230120
PNG
(US9334290, 49 | US9334290, 50 | US9334290, 73)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H23F3N4O4/c1-13-16(5-4-6-23(13)38-29(40)19-10-15(32)11-21(34)26(19)37-30(38)41)24-20(33)12-18(28(35)39)27-25(24)17-8-7-14(31(2,3)42)9-22(17)36-27/h4-12,36,42H,1-3H3,(H2,35,39)(H,37,41)
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n/an/a 0.260n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230148
PNG
(US9334290, 16)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)C#N
Show InChI InChI=1S/C33H26FN5O4/c1-16-19(7-6-10-25(16)39-31(41)21-8-5-9-23(34)29(21)38(4)32(39)42)26-17(15-35)13-22(30(36)40)28-27(26)20-12-11-18(33(2,3)43)14-24(20)37-28/h5-14,37,43H,1-4H3,(H2,36,40)
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n/an/a 0.270n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230152
PNG
(US9334290, 36)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-21(33)7-5-11-36(24)30(37)40)26-20(32)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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n/an/a 0.280n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM122421
PNG
(US8729078, I-31)
Show SMILES Cc1cc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nn1C
Show InChI InChI=1S/C28H29FN8O3/c1-15-9-23(33-35(15)5)32-26-18(25(30)39)13-36(34-26)21-7-6-8-22(19(21)14-38)37-27(40)24-16(12-31-37)10-17(11-20(24)29)28(2,3)4/h6-13,38H,14H2,1-5H3,(H2,30,39)(H,32,33,34)
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n/an/a 0.290n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122413
PNG
(US8729078, I-23)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(Cl)cn4)n3)c2=O)c1
Show InChI InChI=1S/C28H25ClFN7O3/c1-28(2,3)16-9-15-11-33-37(27(40)24(15)20(30)10-16)22-6-4-5-21(19(22)14-38)36-13-18(25(31)39)26(35-36)34-23-8-7-17(29)12-32-23/h4-13,38H,14H2,1-3H3,(H2,31,39)(H,32,34,35)
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n/an/a 0.290n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM230122
PNG
(US9334290, 51)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2cc(F)ccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24F2N4O4/c1-14-17(5-4-6-24(14)37-29(39)19-10-8-16(32)12-23(19)36-30(37)40)25-21(33)13-20(28(34)38)27-26(25)18-9-7-15(31(2,3)41)11-22(18)35-27/h4-13,35,41H,1-3H3,(H2,34,38)(H,36,40)
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n/an/a 0.300n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM143179
PNG
(US8940744, 4 | US9266895, 4)
Show SMILES CN1CCN(CC1)C(C)(C)C=C([N+]#[C-])C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1/C34H38FN9O2/c1-34(2,43-17-15-41(4)16-18-43)20-28(37-3)33(45)42-14-8-9-23(21-42)44-32-29(31(36)38-22-39-32)30(40-44)26-13-12-25(19-27(26)35)46-24-10-6-5-7-11-24/h5-7,10-13,19-20,22-23H,8-9,14-18,21H2,1-2,4H3,(H2,36,38,39)/b28-20+/t23-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Principia Biopharma Inc.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the pre...


US Patent US8940744 (2015)

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


(Homo sapiens (human))
BDBM50388189
PNG
(CHEMBL2057918)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1
Show InChI InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38)
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n/an/a 0.300n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of BTK by TR-FRET based competitive assay


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


(Homo sapiens (human))
BDBM143179
PNG
(US8940744, 4 | US9266895, 4)
Show SMILES CN1CCN(CC1)C(C)(C)C=C([N+]#[C-])C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1/C34H38FN9O2/c1-34(2,43-17-15-41(4)16-18-43)20-28(37-3)33(45)42-14-8-9-23(21-42)44-32-29(31(36)38-22-39-32)30(40-44)26-13-12-25(19-27(26)35)46-24-10-6-5-7-11-24/h5-7,10-13,19-20,22-23H,8-9,14-18,21H2,1-2,4H3,(H2,36,38,39)/b28-20+/t23-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Principia Biopharma Inc.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the pre...


US Patent US9266895 (2016)

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


(Homo sapiens (human))
BDBM230153
PNG
(US9334290, 39)
Show SMILES Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C29H23ClN4O4S/c1-14-16(5-4-6-21(14)34-22(35)13-23-33(28(34)37)9-10-39-23)24-19(30)12-18(27(31)36)26-25(24)17-8-7-15(29(2,3)38)11-20(17)32-26/h4-13,32,38H,1-3H3,(H2,31,36)
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n/an/a 0.310n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230120
PNG
(US9334290, 49 | US9334290, 50 | US9334290, 73)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H23F3N4O4/c1-13-16(5-4-6-23(13)38-29(40)19-10-15(32)11-21(34)26(19)37-30(38)41)24-20(33)12-18(28(35)39)27-25(24)17-8-7-14(31(2,3)42)9-22(17)36-27/h4-12,36,42H,1-3H3,(H2,35,39)(H,37,41)
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n/an/a 0.320n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM191606
PNG
(US9181263, 23 | US9278100, 23)
Show SMILES Nc1ncnc2n(CCNC(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C22H20N6O2/c1-2-18(29)24-12-13-28-22-19(21(23)25-14-26-22)20(27-28)15-8-10-17(11-9-15)30-16-6-4-3-5-7-16/h2-11,14H,1,12-13H2,(H,24,29)(H2,23,25,26)
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n/an/a 0.320n/an/an/an/an/an/a



Pharmacyclics LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition...


US Patent US9278100 (2016)

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


(Homo sapiens (human))
BDBM249938
PNG
(US9447106, 67)
Show SMILES NC(=O)c1c(nn2c3cc(NC(=O)C=C)ccc3[nH]c12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H19N5O3/c1-2-21(31)27-16-10-13-19-20(14-16)30-25(28-19)22(24(26)32)23(29-30)15-8-11-18(12-9-15)33-17-6-4-3-5-7-17/h2-14,28H,1H2,(H2,26,32)(H,27,31)
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n/an/a 0.320n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9447106 (2016)

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


(Homo sapiens (human))
BDBM191606
PNG
(US9181263, 23 | US9278100, 23)
Show SMILES Nc1ncnc2n(CCNC(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C22H20N6O2/c1-2-18(29)24-12-13-28-22-19(21(23)25-14-26-22)20(27-28)15-8-10-17(11-9-15)30-16-6-4-3-5-7-16/h2-11,14H,1,12-13H2,(H,24,29)(H2,23,25,26)
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n/an/a 0.320n/an/an/an/an/an/a



PHARMACYCLICS LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...


US Patent US9181263 (2015)

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


(Homo sapiens (human))
BDBM246392
PNG
(US9446130, 2)
Show SMILES Cn1ncc2c1CCC[C@@]2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1/C27H23F3N8O2/c1-37-19-3-2-9-26(40,18(19)14-34-37)25-36-21(22-23(31)33-11-12-38(22)25)15-4-6-16(7-5-15)24(39)35-20-13-17(8-10-32-20)27(28,29)30/h4-8,10-14,40H,2-3,9H2,1H3,(H2,31,33)(H,32,35,39)/t26-/s2
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n/an/a 0.330n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Method B: BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy...


US Patent US9446130 (2016)

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


(Homo sapiens (human))
BDBM250081
PNG
(US9447106, 27a (peak 1))
Show SMILES NC(=O)c1c2NCC[C@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/s2
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n/an/a 0.330n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9447106 (2016)

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


(Homo sapiens (human))
BDBM230119
PNG
(US9334290, 48)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H23ClF2N4O4/c1-13-16(5-4-6-23(13)38-29(40)19-10-15(33)11-21(34)26(19)37-30(38)41)24-20(32)12-18(28(35)39)27-25(24)17-8-7-14(31(2,3)42)9-22(17)36-27/h4-12,36,42H,1-3H3,(H2,35,39)(H,37,41)
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n/an/a 0.330n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230099
PNG
(US9334290, 23 | US9334290, 24)
Show SMILES Cc1c(cccc1-n1c(=O)ccn(-c2ccc(F)cc2)c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C33H26ClFN4O4/c1-17-21(5-4-6-26(17)39-27(40)13-14-38(32(39)42)20-10-8-19(35)9-11-20)28-24(34)16-23(31(36)41)30-29(28)22-12-7-18(33(2,3)43)15-25(22)37-30/h4-16,37,43H,1-3H3,(H2,36,41)
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n/an/a 0.330n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230149
PNG
(US9334290, 22)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24F2N4O4/c1-14-16(6-5-9-23(14)37-29(39)18-7-4-8-20(32)26(18)36-30(37)40)24-21(33)13-19(28(34)38)27-25(24)17-11-10-15(31(2,3)41)12-22(17)35-27/h4-13,35,41H,1-3H3,(H2,34,38)(H,36,40)
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n/an/a 0.330n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230133
PNG
(US9334290, 64 | US9334290, 65)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O
Show InChI InChI=1/C31H28ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-20(32)7-5-11-36(24)30(37)40)26-21(33)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-8,11,13-14,16,35,41H,9-10,12H2,1-3H3,(H2,34,39)/t16-/s2
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n/an/a 0.340n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230111
PNG
(US9334290, 38)
Show SMILES Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C29H23ClN4O4S/c1-14-16(5-4-6-21(14)34-22(35)13-23-33(28(34)37)9-10-39-23)24-19(30)12-18(27(31)36)26-25(24)17-8-7-15(29(2,3)38)11-20(17)32-26/h4-13,32,38H,1-3H3,(H2,31,36)
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n/an/a 0.340n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230135
PNG
(US9334290, 66)
Show SMILES Cc1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1-c1cccc(c1Cl)-n1c(=O)[nH]c2c(F)cccc2c1=O)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-14-12-19(28(34)38)27-24(16-11-10-15(31(2,3)41)13-21(16)35-27)23(14)17-6-5-9-22(25(17)32)37-29(39)18-7-4-8-20(33)26(18)36-30(37)40/h4-13,35,41H,1-3H3,(H2,34,38)(H,36,40)
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n/an/a 0.340n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230118
PNG
(US9334290, 47)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(cc(Cl)c(-c3cccc(c3Cl)-n3c(=O)[nH]c4c(F)cccc4c3=O)c21)C(N)=O
Show InChI InChI=1S/C30H21Cl2FN4O4/c1-30(2,41)13-9-10-14-20(11-13)35-26-17(27(34)38)12-18(31)22(23(14)26)15-5-4-8-21(24(15)32)37-28(39)16-6-3-7-19(33)25(16)36-29(37)40/h3-12,35,41H,1-2H3,(H2,34,38)(H,36,40)
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n/an/a 0.350n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM230124
PNG
(US9334290, 53 | US9334290, 54)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(Cl)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-14-16(6-5-9-23(14)37-29(39)18-7-4-8-20(32)26(18)36-30(37)40)24-21(33)13-19(28(34)38)27-25(24)17-11-10-15(31(2,3)41)12-22(17)35-27/h4-13,35,41H,1-3H3,(H2,34,38)(H,36,40)
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n/an/a 0.350n/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), ATP...


US Patent US9334290 (2016)

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


(Homo sapiens (human))
BDBM122416
PNG
(US8729078, I-26)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccccn4)n3)c2=O)c1
Show InChI InChI=1S/C28H26FN7O3/c1-28(2,3)17-11-16-13-32-36(27(39)24(16)20(29)12-17)22-8-6-7-21(19(22)15-37)35-14-18(25(30)38)26(34-35)33-23-9-4-5-10-31-23/h4-14,37H,15H2,1-3H3,(H2,30,38)(H,31,33,34)
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n/an/a 0.360n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

More data for this
Ligand-Target Pair
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