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Patent code US10640486

Compile Data Set for Download or QSAR
Found 86 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))		BDBM441002
PNG
(US10640486, Example 42)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(cc2C(F)(F)F)N2CC3CC3C2)nn1
Show InChI InChI=1S/C23H23F3N8O/c24-23(25,26)17-6-20(33-8-12-5-13(12)9-33)29-7-14(17)10-34-11-19(31-32-34)22(35)30-18-2-1-16-15(18)3-4-28-21(16)27/h3-4,6-7,11-13,18H,1-2,5,8-10H2,(H2,27,28)(H,30,35)/t12?,13?,18-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441001
PNG
(US10640486, Example 41)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2cnc(cc2C(F)(F)F)N2CC3CC3C2)c1
Show InChI InChI=1S/C24H24F3N7O/c25-24(26,27)19-6-21(33-9-13-5-14(13)10-33)30-7-15(19)11-34-12-16(8-31-34)23(35)32-20-2-1-18-17(20)3-4-29-22(18)28/h3-4,6-8,12-14,20H,1-2,5,9-11H2,(H2,28,29)(H,32,35)/t13?,14?,20-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440996
PNG
(US10640486, Example 36)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2C(F)(F)F)N2CC3CC3C2)c1
Show InChI InChI=1S/C24H24F3N7O/c25-24(26,27)21-13(1-4-20(32-21)33-9-14-7-15(14)10-33)11-34-12-16(8-30-34)23(35)31-19-3-2-18-17(19)5-6-29-22(18)28/h1,4-6,8,12,14-15,19H,2-3,7,9-11H2,(H2,28,29)(H,31,35)/t14?,15?,19-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441028
PNG
(1-[6-(3-Aza-bicyclo[3.1.0]hex-3-yl)-pyridin-3-ylme...)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2CC3CC3C2)c1
Show InChI InChI=1S/C23H25N7O/c24-22-19-2-3-20(18(19)5-6-25-22)28-23(31)17-9-27-30(13-17)10-14-1-4-21(26-8-14)29-11-15-7-16(15)12-29/h1,4-6,8-9,13,15-16,20H,2-3,7,10-12H2,(H2,24,25)(H,28,31)/t15?,16?,20-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441010
PNG
(US10640486, Example 50)
Show SMILES Nc1nccc2C(CCc12)NC(=O)c1cn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)nc1C(F)(F)F
Show InChI InChI=1S/C26H25F3N6O2/c27-26(28,29)22-20(24(36)32-21-6-5-18-17(21)7-8-31-23(18)30)13-35(33-22)11-15-3-1-14(2-4-15)10-34-12-16-9-19(16)25(34)37/h1-4,7-8,13,16,19,21H,5-6,9-12H2,(H2,30,31)(H,32,36)/t16-,19-,21?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441047
PNG
(US10640486, Example 53)
Show SMILES Nc1nccc2C(CCc12)NC(=O)c1cnn(Cc2ccc(CN3C[C@H]4C[C@@H]4C3=O)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C26H25F3N6O2/c27-26(28,29)21-7-14(1-2-15(21)11-34-12-16-8-20(16)25(34)37)10-35-13-17(9-32-35)24(36)33-22-4-3-19-18(22)5-6-31-23(19)30/h1-2,5-7,9,13,16,20,22H,3-4,8,10-12H2,(H2,30,31)(H,33,36)/t16-,20+,22?/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441037
PNG
(US10640486, Example 84)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2CC3C(C2)C3(F)F)c1
Show InChI InChI=1S/C23H23F2N7O/c24-23(25)17-11-31(12-18(17)23)20-4-1-13(7-28-20)9-32-10-14(8-29-32)22(33)30-19-3-2-16-15(19)5-6-27-21(16)26/h1,4-8,10,17-19H,2-3,9,11-12H2,(H2,26,27)(H,30,33)/t17?,18?,19-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440998
PNG
(US10640486, Example 38)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2C(F)(F)F)N2CC3CC3C2)nn1
Show InChI InChI=1S/C23H23F3N8O/c24-23(25,26)20-12(1-4-19(30-20)33-8-13-7-14(13)9-33)10-34-11-18(31-32-34)22(35)29-17-3-2-16-15(17)5-6-28-21(16)27/h1,4-6,11,13-14,17H,2-3,7-10H2,(H2,27,28)(H,29,35)/t13?,14?,17-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440988
PNG
(US10640486, Example 23)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4CC3=O)cc2)c1
Show InChI InChI=1S/C26H28N6O2/c27-25-22-5-6-23(21(22)7-8-28-25)30-26(34)20-11-29-32(15-20)13-17-3-1-16(2-4-17)12-31-14-19-9-18(19)10-24(31)33/h1-4,7-8,11,15,18-19,23H,5-6,9-10,12-14H2,(H2,27,28)(H,30,34)/t18?,19?,23-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441030
PNG
(US10640486, Example 77)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CC3CC3C2)nc1C(F)(F)F
Show InChI InChI=1S/C24H24F3N7O/c25-24(26,27)21-18(23(35)31-19-3-2-17-16(19)5-6-29-22(17)28)12-34(32-21)9-13-1-4-20(30-8-13)33-10-14-7-15(14)11-33/h1,4-6,8,12,14-15,19H,2-3,7,9-11H2,(H2,28,29)(H,31,35)/t14?,15?,19-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441008
PNG
(US10640486, Example 48 | US10640486, Example 49)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2ccc(cc2)N2CC3C[C@@H]3C2=O)c1
Show InChI InChI=1S/C24H24N6O2/c25-22-8-5-18-20(27-22)6-7-21(18)28-23(31)16-10-26-29(12-16)11-14-1-3-17(4-2-14)30-13-15-9-19(15)24(30)32/h1-5,8,10,12,15,19,21H,6-7,9,11,13H2,(H2,25,27)(H,28,31)/t15?,19-,21+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440993
PNG
(US10640486, Example 33)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CC3CC3C2)nn1
Show InChI InChI=1S/C22H24N8O/c23-21-17-2-3-18(16(17)5-6-24-21)26-22(31)19-12-30(28-27-19)9-13-1-4-20(25-8-13)29-10-14-7-15(14)11-29/h1,4-6,8,12,14-15,18H,2-3,7,9-11H2,(H2,23,24)(H,26,31)/t14?,15?,18-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441033
PNG
(US10640486, Example 80)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2cnc(nc2)N2CC3CC3C2)c1
Show InChI InChI=1S/C22H24N8O/c23-20-18-1-2-19(17(18)3-4-24-20)28-21(31)16-8-27-30(12-16)9-13-6-25-22(26-7-13)29-10-14-5-15(14)11-29/h3-4,6-8,12,14-15,19H,1-2,5,9-11H2,(H2,23,24)(H,28,31)/t14?,15?,19-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441041
PNG
(1-[6-(3-Aza-bicyclo[3.1.0]hex-3-yl)-pyrimidin-5-yl...)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2)N2CC3CC3C2)nc1C(F)(F)F
Show InChI InChI=1S/C23H23F3N8O/c24-23(25,26)19-17(21(35)31-18-2-1-16-15(18)3-4-28-20(16)27)11-34(32-19)8-12-6-29-22(30-7-12)33-9-13-5-14(13)10-33/h3-4,6-7,11,13-14,18H,1-2,5,8-10H2,(H2,27,28)(H,31,35)/t13?,14?,18-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441038
PNG
(US10640486, Example 85)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2cnc(cn2)N2CC3CC3C2)c1
Show InChI InChI=1S/C22H24N8O/c23-21-18-1-2-19(17(18)3-4-24-21)28-22(31)15-6-27-30(11-15)12-16-7-26-20(8-25-16)29-9-13-5-14(13)10-29/h3-4,6-8,11,13-14,19H,1-2,5,9-10,12H2,(H2,23,24)(H,28,31)/t13?,14?,19-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441005
PNG
(US10640486, Example 45)
Show SMILES Cc1cc(ncc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2CC2C1
Show InChI InChI=1S/C24H27N7O/c1-14-6-22(30-10-15-7-16(15)11-30)27-8-17(14)12-31-13-18(9-28-31)24(32)29-21-3-2-20-19(21)4-5-26-23(20)25/h4-6,8-9,13,15-16,21H,2-3,7,10-12H2,1H3,(H2,25,26)(H,29,32)/t15?,16?,21-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441007
PNG
(US10640486, Example 47)
Show SMILES Cc1cc(ncc1Cn1cc(nn1)C(=O)N[C@@H]1CCc2c1ccnc2N)N1CC2CC2C1
Show InChI InChI=1S/C23H26N8O/c1-13-6-21(30-9-14-7-15(14)10-30)26-8-16(13)11-31-12-20(28-29-31)23(32)27-19-3-2-18-17(19)4-5-25-22(18)24/h4-6,8,12,14-15,19H,2-3,7,9-11H2,1H3,(H2,24,25)(H,27,32)/t14?,15?,19-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440986
PNG
(US10640486, Example 20)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)C1=CN(Cc2ccc(CN3CC4CCCN4C3=O)cc2)N=[N]1C(F)(F)F
Show InChI InChI=1S/C26H28F3N8O2/c27-26(28,29)37-22(24(38)32-21-8-7-20-19(21)9-10-31-23(20)30)15-35(33-37)13-17-5-3-16(4-6-17)12-34-14-18-2-1-11-36(18)25(34)39/h3-6,9-10,15,18,21H,1-2,7-8,11-14H2,(H2,30,31)(H,32,38)/t18?,21-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441042
PNG
(US10640486, Example 89)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2CCC3(CC3)C2)c1
Show InChI InChI=1S/C24H27N7O/c25-22-19-2-3-20(18(19)5-9-26-22)29-23(32)17-12-28-31(14-17)13-16-1-4-21(27-11-16)30-10-8-24(15-30)6-7-24/h1,4-5,9,11-12,14,20H,2-3,6-8,10,13,15H2,(H2,25,26)(H,29,32)/t20-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441052
PNG
(US10640486, Example 73)
Show SMILES CC(c1ccc(nc1)N1C[C@H]2C[C@@H]2C1)n1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N
Show InChI InChI=1S/C24H27N7O/c1-14(15-2-5-22(27-9-15)30-11-16-8-17(16)12-30)31-13-18(10-28-31)24(32)29-21-4-3-20-19(21)6-7-26-23(20)25/h2,5-7,9-10,13-14,16-17,21H,3-4,8,11-12H2,1H3,(H2,25,26)(H,29,32)/t14?,16-,17-,21-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441035
PNG
(US10640486, Example 82)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2cnc(nc2)N2CC3CC3C2)nn1
Show InChI InChI=1S/C21H23N9O/c22-19-16-1-2-17(15(16)3-4-23-19)26-20(31)18-11-30(28-27-18)8-12-6-24-21(25-7-12)29-9-13-5-14(13)10-29/h3-4,6-7,11,13-14,17H,1-2,5,8-10H2,(H2,22,23)(H,26,31)/t13?,14?,17-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440997
PNG
(US10640486, Example 37)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2ccc(nc2C(F)(F)F)N2CC3CC3C2)c1
Show InChI InChI=1S/C24H24F3N7O/c25-24(26,27)22-13(1-6-21(32-22)33-9-14-7-15(14)10-33)11-34-12-16(8-29-34)23(35)31-19-4-3-18-17(19)2-5-20(28)30-18/h1-2,5-6,8,12,14-15,19H,3-4,7,9-11H2,(H2,28,30)(H,31,35)/t14?,15?,19-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441029
PNG
(US10640486, Example 76)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2ccc(nc2)N2CC3CC3C2)c1
Show InChI InChI=1S/C23H25N7O/c24-21-5-2-18-19(27-21)3-4-20(18)28-23(31)17-9-26-30(13-17)10-14-1-6-22(25-8-14)29-11-15-7-16(15)12-29/h1-2,5-6,8-9,13,15-16,20H,3-4,7,10-12H2,(H2,24,27)(H,28,31)/t15?,16?,20-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441032
PNG
(US10640486, Example 79)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2CC3CCC3C2)c1
Show InChI InChI=1S/C24H27N7O/c25-23-20-4-5-21(19(20)7-8-26-23)29-24(32)18-10-28-31(14-18)11-15-1-6-22(27-9-15)30-12-16-2-3-17(16)13-30/h1,6-10,14,16-17,21H,2-5,11-13H2,(H2,25,26)(H,29,32)/t16?,17?,21-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441000
PNG
(US10640486, Example 40)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2cnc(cc2C(F)(F)F)N2CC3CC3C2)c1
Show InChI InChI=1S/C24H24F3N7O/c25-24(26,27)18-6-22(33-9-13-5-14(13)10-33)29-7-15(18)11-34-12-16(8-30-34)23(35)32-20-3-2-19-17(20)1-4-21(28)31-19/h1,4,6-8,12-14,20H,2-3,5,9-11H2,(H2,28,31)(H,32,35)/t13?,14?,20-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441025
PNG
(1-{1-[6-(3-Aza-bicyclo[3.1.0]hex-3-yl)-pyridin-3-y...)
Show SMILES CC(c1ccc(nc1)N1CC2CC2C1)n1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N
Show InChI InChI=1S/C24H27N7O/c1-14(15-2-5-22(27-9-15)30-11-16-8-17(16)12-30)31-13-18(10-28-31)24(32)29-21-4-3-20-19(21)6-7-26-23(20)25/h2,5-7,9-10,13-14,16-17,21H,3-4,8,11-12H2,1H3,(H2,25,26)(H,29,32)/t14?,16?,17?,21-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441026
PNG
(US10640486, Example 72)
Show SMILES CC(c1ccc(nc1)N1C[C@@H]2C[C@@H]2C1)n1cc(cn1)C(=O)N[C@@H]1CCc2c1ccnc2N
Show InChI InChI=1S/C24H27N7O/c1-14(15-2-5-22(27-9-15)30-11-16-8-17(16)12-30)31-13-18(10-28-31)24(32)29-21-4-3-20-19(21)6-7-26-23(20)25/h2,5-7,9-10,13-14,16-17,21H,3-4,8,11-12H2,1H3,(H2,25,26)(H,29,32)/t14?,16-,17+,21-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440971
PNG
(US10640486, Example 5)
Show SMILES Nc1nccc2C(CCc12)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1
Show InChI InChI=1S/C25H26N6O2/c26-23-20-5-6-22(19(20)7-8-27-23)29-24(32)18-10-28-31(14-18)12-16-3-1-15(2-4-16)11-30-13-17-9-21(17)25(30)33/h1-4,7-8,10,14,17,21-22H,5-6,9,11-13H2,(H2,26,27)(H,29,32)
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441051
PNG
(US10640486, Example 68)
Show SMILES Cc1cc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3nc(N)ccc23)ccc1N1C[C@H]2C[C@@H]2C1=O
Show InChI InChI=1S/C25H26N6O2/c1-14-8-15(2-6-22(14)31-13-16-9-19(16)25(31)33)11-30-12-17(10-27-30)24(32)29-21-5-4-20-18(21)3-7-23(26)28-20/h2-3,6-8,10,12,16,19,21H,4-5,9,11,13H2,1H3,(H2,26,28)(H,29,32)/t16-,19+,21-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441003
PNG
(US10640486, Example 43)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2cnc(cc2C(F)(F)F)N2CC3CC3C2)nn1
Show InChI InChI=1S/C23H23F3N8O/c24-23(25,26)16-6-21(33-8-12-5-13(12)9-33)28-7-14(16)10-34-11-19(31-32-34)22(35)30-18-3-2-17-15(18)1-4-20(27)29-17/h1,4,6-7,11-13,18H,2-3,5,8-10H2,(H2,27,29)(H,30,35)/t12?,13?,18-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440974
PNG
(US10640486, Example 8)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)nc1C(F)(F)F
Show InChI InChI=1S/C26H25F3N6O2/c27-26(28,29)23-19(24(36)32-21-7-6-20-17(21)5-8-22(30)31-20)13-35(33-23)11-15-3-1-14(2-4-15)10-34-12-16-9-18(16)25(34)37/h1-5,8,13,16,18,21H,6-7,9-12H2,(H2,30,31)(H,32,36)/t16-,18-,21+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440999
PNG
(US10640486, Example 39)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2ccc(nc2C(F)(F)F)N2CC3CC3C2)nn1
Show InChI InChI=1S/C23H23F3N8O/c24-23(25,26)21-12(1-6-20(30-21)33-8-13-7-14(13)9-33)10-34-11-18(31-32-34)22(35)29-17-4-3-16-15(17)2-5-19(27)28-16/h1-2,5-6,11,13-14,17H,3-4,7-10H2,(H2,27,28)(H,29,35)/t13?,14?,17-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440969
PNG
(US10640486, Example 3)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)c1
Show InChI InChI=1S/C25H26N6O2/c26-23-8-5-19-21(28-23)6-7-22(19)29-24(32)18-10-27-31(14-18)12-16-3-1-15(2-4-16)11-30-13-17-9-20(17)25(30)33/h1-5,8,10,14,17,20,22H,6-7,9,11-13H2,(H2,26,28)(H,29,32)/t17-,20-,22+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441021
PNG
(1-[3-Methyl-4-(2-oxo-3-aza-bicyclo[3.1.0]hex-3-ylm...)
Show SMILES Cc1cc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3nc(N)ccc23)ccc1CN1CC2CC2C1=O
Show InChI InChI=1S/C26H28N6O2/c1-15-8-16(2-3-17(15)12-31-13-18-9-21(18)26(31)34)11-32-14-19(10-28-32)25(33)30-23-6-5-22-20(23)4-7-24(27)29-22/h2-4,7-8,10,14,18,21,23H,5-6,9,11-13H2,1H3,(H2,27,29)(H,30,33)/t18?,21?,23-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440987
PNG
(US10640486, Example 22)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C26H25F3N6O2/c27-26(28,29)20-7-14(1-2-15(20)11-34-12-16-8-19(16)25(34)37)10-35-13-17(9-31-35)24(36)33-22-5-4-21-18(22)3-6-23(30)32-21/h1-3,6-7,9,13,16,19,22H,4-5,8,10-12H2,(H2,30,32)(H,33,36)/t16?,19?,22-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441034
PNG
(US10640486, Example 81)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2cnc(nc2)N2CC3CC3C2)c1
Show InChI InChI=1S/C22H24N8O/c23-20-4-1-17-18(27-20)2-3-19(17)28-21(31)16-8-26-30(12-16)9-13-6-24-22(25-7-13)29-10-14-5-15(14)11-29/h1,4,6-8,12,14-15,19H,2-3,5,9-11H2,(H2,23,27)(H,28,31)/t14?,15?,19-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441031
PNG
(US10640486, Example 78)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2ccc(nc2)N2CC3CC3C2)nc1C(F)(F)F
Show InChI InChI=1S/C24H24F3N7O/c25-24(26,27)22-17(23(35)31-19-4-3-18-16(19)2-5-20(28)30-18)12-34(32-22)9-13-1-6-21(29-8-13)33-10-14-7-15(14)11-33/h1-2,5-6,8,12,14-15,19H,3-4,7,9-11H2,(H2,28,30)(H,31,35)/t14?,15?,19-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441045
PNG
(US10640486, Example 92)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2cnc(nc2)N2CC3CC3C2)nc1C(F)(F)F
Show InChI InChI=1S/C23H23F3N8O/c24-23(25,26)20-16(21(35)31-18-3-2-17-15(18)1-4-19(27)30-17)11-34(32-20)8-12-6-28-22(29-7-12)33-9-13-5-14(13)10-33/h1,4,6-7,11,13-14,18H,2-3,5,8-10H2,(H2,27,30)(H,31,35)/t13?,14?,18-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440992
PNG
(US10640486, Example 32)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2ccc(nc2)N2CC3CC3C2)nn1
Show InChI InChI=1S/C22H24N8O/c23-20-5-2-16-17(25-20)3-4-18(16)26-22(31)19-12-30(28-27-19)9-13-1-6-21(24-8-13)29-10-14-7-15(14)11-29/h1-2,5-6,8,12,14-15,18H,3-4,7,9-11H2,(H2,23,25)(H,26,31)/t14?,15?,18-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441004
PNG
(US10640486, Example 44)
Show SMILES Cc1cc(ncc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2nc(N)ccc12)N1CC2CC2C1
Show InChI InChI=1S/C24H27N7O/c1-14-6-23(30-10-15-7-16(15)11-30)26-8-17(14)12-31-13-18(9-27-31)24(32)29-21-4-3-20-19(21)2-5-22(25)28-20/h2,5-6,8-9,13,15-16,21H,3-4,7,10-12H2,1H3,(H2,25,28)(H,29,32)/t15?,16?,21-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441039
PNG
(US10640486, Example 86)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2cnc(cn2)N2CC3CC3C2)c1
Show InChI InChI=1S/C22H24N8O/c23-20-4-1-17-18(27-20)2-3-19(17)28-22(31)15-6-26-30(11-15)12-16-7-25-21(8-24-16)29-9-13-5-14(13)10-29/h1,4,6-8,11,13-14,19H,2-3,5,9-10,12H2,(H2,23,27)(H,28,31)/t13?,14?,19-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441006
PNG
(US10640486, Example 46)
Show SMILES Cc1cc(ncc1Cn1cc(nn1)C(=O)N[C@@H]1CCc2nc(N)ccc12)N1CC2CC2C1
Show InChI InChI=1S/C23H26N8O/c1-13-6-22(30-9-14-7-15(14)10-30)25-8-16(13)11-31-12-20(28-29-31)23(32)27-19-4-3-18-17(19)2-5-21(24)26-18/h2,5-6,8,12,14-15,19H,3-4,7,9-11H2,1H3,(H2,24,26)(H,27,32)/t14?,15?,19-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441044
PNG
(US10640486, Example 91)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2C[C@H]3[C@H](CO)[C@H]3C2)c1
Show InChI InChI=1S/C24H27N7O2/c25-23-17-2-3-21(16(17)5-6-26-23)29-24(33)15-8-28-31(10-15)9-14-1-4-22(27-7-14)30-11-18-19(12-30)20(18)13-32/h1,4-8,10,18-21,32H,2-3,9,11-13H2,(H2,25,26)(H,29,33)/t18-,19+,20+,21-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441011
PNG
(US10640486, Example 52)
Show SMILES Nc1nccc2C(CCc12)NC(=O)c1cnn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C26H25F3N6O2/c27-26(28,29)21-7-14(1-2-15(21)11-34-12-16-8-20(16)25(34)37)10-35-13-17(9-32-35)24(36)33-22-4-3-19-18(22)5-6-31-23(19)30/h1-2,5-7,9,13,16,20,22H,3-4,8,10-12H2,(H2,30,31)(H,33,36)/t16-,20-,22?/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441027
PNG
(1-{1-[6-(3-Aza-bicyclo[3.1.0]hex-3-yl)-pyridin-3-y...)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(c1)C1(CC1)c1ccc(nc1)N1CC2CC2C1
Show InChI InChI=1S/C25H27N7O/c26-23-20-2-3-21(19(20)5-8-27-23)30-24(33)17-10-29-32(14-17)25(6-7-25)18-1-4-22(28-11-18)31-12-15-9-16(15)13-31/h1,4-5,8,10-11,14-16,21H,2-3,6-7,9,12-13H2,(H2,26,27)(H,30,33)/t15?,16?,21-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440983
PNG
(US10640486, Example 17)
Show SMILES Cc1cc(N)nc2CCC(NC(=O)c3cnn(Cc4ccc(CN5CC6CC6C5=O)cc4)c3)c12
Show InChI InChI=1S/C26H28N6O2/c1-15-8-23(27)29-21-6-7-22(24(15)21)30-25(33)19-10-28-32(14-19)12-17-4-2-16(3-5-17)11-31-13-18-9-20(18)26(31)34/h2-5,8,10,14,18,20,22H,6-7,9,11-13H2,1H3,(H2,27,29)(H,30,33)
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n/an/a 42n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441012
PNG
(US10640486, Example 54)
Show SMILES Nc1nccc2C(CCc12)NC(=O)c1cnn(Cc2ccc(CN3C[C@@H]4C[C@@H]4C3=O)cc2)c1
Show InChI InChI=1S/C25H26N6O2/c26-23-20-5-6-22(19(20)7-8-27-23)29-24(32)18-10-28-31(14-18)12-16-3-1-15(2-4-16)11-30-13-17-9-21(17)25(30)33/h1-4,7-8,10,14,17,21-22H,5-6,9,11-13H2,(H2,26,27)(H,29,32)/t17-,21-,22?/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441023
PNG
(1-[2-Methyl-4-(2-oxo-3-aza-bicyclo[3.1.0]hex-3-ylm...)
Show SMILES Cc1cc(CN2CC3CC3C2=O)ccc1Cn1cc(cn1)C(=O)N[C@@H]1CCc2nc(N)ccc12
Show InChI InChI=1S/C26H28N6O2/c1-15-8-16(11-31-12-18-9-21(18)26(31)34)2-3-17(15)13-32-14-19(10-28-32)25(33)30-23-6-5-22-20(23)4-7-24(27)29-22/h2-4,7-8,10,14,18,21,23H,5-6,9,11-13H2,1H3,(H2,27,29)(H,30,33)/t18?,21?,23-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440970
PNG
(US10640486, Example 4)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CC4CC4C3=O)cc2)nc1C(F)(F)F
Show InChI InChI=1S/C26H25F3N6O2/c27-26(28,29)23-19(24(36)32-21-7-6-20-17(21)5-8-22(30)31-20)13-35(33-23)11-15-3-1-14(2-4-15)10-34-12-16-9-18(16)25(34)37/h1-5,8,13,16,18,21H,6-7,9-12H2,(H2,30,31)(H,32,36)
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n/an/a 63n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441008
PNG
(US10640486, Example 48 | US10640486, Example 49)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2ccc(cc2)N2CC3C[C@@H]3C2=O)c1
Show InChI InChI=1S/C24H24N6O2/c25-22-8-5-18-20(27-22)6-7-21(18)28-23(31)16-10-26-29(12-16)11-14-1-3-17(4-2-14)30-13-15-9-19(15)24(30)32/h1-5,8,10,12,15,19,21H,6-7,9,11,13H2,(H2,25,27)(H,28,31)/t15?,19-,21+/m0/s1
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n/an/a 69n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440972
PNG
(US10640486, Example 6)
Show SMILES Nc1cc2C(CCc2cn1)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1
Show InChI InChI=1S/C25H26N6O2/c26-23-8-20-17(9-27-23)5-6-22(20)29-24(32)19-10-28-31(14-19)12-16-3-1-15(2-4-16)11-30-13-18-7-21(18)25(30)33/h1-4,8-10,14,18,21-22H,5-7,11-13H2,(H2,26,27)(H,29,32)
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n/an/a 71n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441036
PNG
(US10640486, Example 83)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2cnc(nc2)N2CC3CC3C2)nn1
Show InChI InChI=1S/C21H23N9O/c22-19-4-1-15-16(25-19)2-3-17(15)26-20(31)18-11-30(28-27-18)8-12-6-23-21(24-7-12)29-9-13-5-14(13)10-29/h1,4,6-7,11,13-14,17H,2-3,5,8-10H2,(H2,22,25)(H,26,31)/t13?,14?,17-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441043
PNG
(US10640486, Example 90)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cnn(Cc2ccc(nc2)N2CC3(COC3)C2)c1
Show InChI InChI=1S/C23H25N7O2/c24-21-18-2-3-19(17(18)5-6-25-21)28-22(31)16-8-27-30(10-16)9-15-1-4-20(26-7-15)29-11-23(12-29)13-32-14-23/h1,4-8,10,19H,2-3,9,11-14H2,(H2,24,25)(H,28,31)/t19-/m1/s1
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n/an/a 78n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440981
PNG
(US10640486, Example 15)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1
Show InChI InChI=1S/C25H26N6O2/c26-23-8-5-19-21(28-23)6-7-22(19)29-24(32)18-10-27-31(14-18)12-16-3-1-15(2-4-16)11-30-13-17-9-20(17)25(30)33/h1-5,8,10,14,17,20,22H,6-7,9,11-13H2,(H2,26,28)(H,29,32)
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n/an/a 81n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440982
PNG
(US10640486, Example 16)
Show SMILES Cc1nn(Cc2ccc(CN3CC4CC4C3=O)cc2)cc1C(=O)NC1CCc2nc(N)ccc12
Show InChI InChI=1S/C26H28N6O2/c1-15-21(25(33)29-23-8-7-22-19(23)6-9-24(27)28-22)14-32(30-15)12-17-4-2-16(3-5-17)11-31-13-18-10-20(18)26(31)34/h2-6,9,14,18,20,23H,7-8,10-13H2,1H3,(H2,27,28)(H,29,33)
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n/an/a 85n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441046
PNG
(US10640486, Example 51)
Show SMILES Nc1nccc2C(CCc12)NC(=O)c1cn(Cc2ccc(CN3C[C@H]4C[C@@H]4C3=O)cc2)nc1C(F)(F)F
Show InChI InChI=1S/C26H25F3N6O2/c27-26(28,29)22-20(24(36)32-21-6-5-18-17(21)7-8-31-23(18)30)13-35(33-22)11-15-3-1-14(2-4-15)10-34-12-16-9-19(16)25(34)37/h1-4,7-8,13,16,19,21H,5-6,9-12H2,(H2,30,31)(H,32,36)/t16-,19+,21?/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441016
PNG
(1-[4-(3-Oxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl...)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CC4CCCN4C3=O)cc2)nn1
Show InChI InChI=1S/C25H28N8O2/c26-23-10-7-19-20(27-23)8-9-21(19)28-24(34)22-15-32(30-29-22)13-17-5-3-16(4-6-17)12-31-14-18-2-1-11-33(18)25(31)35/h3-7,10,15,18,21H,1-2,8-9,11-14H2,(H2,26,27)(H,28,34)
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n/an/a 340n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440994
PNG
(US10640486, Example 34)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CC3CCCN3C(=O)C2)nn1
Show InChI InChI=1S/C24H27N9O2/c25-23-18-4-5-19(17(18)7-8-26-23)28-24(35)20-13-32(30-29-20)11-15-3-6-21(27-10-15)31-12-16-2-1-9-33(16)22(34)14-31/h3,6-8,10,13,16,19H,1-2,4-5,9,11-12,14H2,(H2,25,26)(H,28,35)/t16?,19-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441017
PNG
(1-[4-(2-Oxo-3-aza-bicyclo[3.1.0]hex-3-ylmethyl)-be...)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CC4CC4C3=O)cc2)nn1
Show InChI InChI=1S/C24H25N7O2/c25-22-8-5-17-19(26-22)6-7-20(17)27-23(32)21-13-31(29-28-21)11-15-3-1-14(2-4-15)10-30-12-16-9-18(16)24(30)33/h1-5,8,13,16,18,20H,6-7,9-12H2,(H2,25,26)(H,27,32)
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n/an/a 410n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440973
PNG
(US10640486, Example 7)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cn(Cc2ccc(CN3C[C@H]4C[C@H]4C3=O)cc2)nc1C(F)(F)F
Show InChI InChI=1S/C26H25F3N6O2/c27-26(28,29)23-19(24(36)32-21-7-6-20-17(21)5-8-22(30)31-20)13-35(33-23)11-15-3-1-14(2-4-15)10-34-12-16-9-18(16)25(34)37/h1-5,8,13,16,18,21H,6-7,9-12H2,(H2,30,31)(H,32,36)/t16-,18-,21-/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441022
PNG
(US10640486, Example 67)
Show SMILES Cc1cc(Cn2cc(cn2)C(=O)N[C@@H]2CCc3nc(N)ccc23)ccc1N1C[C@@H]2C[C@@H]2C1=O
Show InChI InChI=1S/C25H26N6O2/c1-14-8-15(2-6-22(14)31-13-16-9-19(16)25(31)33)11-30-12-17(10-27-30)24(32)29-21-5-4-20-18(21)3-7-23(26)28-20/h2-3,6-8,10,12,16,19,21H,4-5,9,11,13H2,1H3,(H2,26,28)(H,29,32)/t16-,19-,21+/m0/s1
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n/an/a 470n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441048
PNG
(US10640486, Example 55)
Show SMILES Nc1nccc2C(CCc12)NC(=O)c1cnn(Cc2ccc(CN3C[C@H]4C[C@@H]4C3=O)cc2)c1
Show InChI InChI=1S/C25H26N6O2/c26-23-20-5-6-22(19(20)7-8-27-23)29-24(32)18-10-28-31(14-18)12-16-3-1-15(2-4-16)11-30-13-17-9-21(17)25(30)33/h1-4,7-8,10,14,17,21-22H,5-6,9,11-13H2,(H2,26,27)(H,29,32)/t17-,21+,22?/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440964
PNG
(1-[4-((1R,5S)-2-Oxo-3-aza-bicyclo[3.1.0]hex-3-ylme...)
Show SMILES Nc1ccc2[C@@H](CCc2n1)NC(=O)c1cnn(Cc2ccc(CN3C[C@H]4C[C@H]4C3=O)cc2)c1
Show InChI InChI=1S/C25H26N6O2/c26-23-8-5-19-21(28-23)6-7-22(19)29-24(32)18-10-27-31(14-18)12-16-3-1-15(2-4-16)11-30-13-17-9-20(17)25(30)33/h1-5,8,10,14,17,20,22H,6-7,9,11-13H2,(H2,26,28)(H,29,32)/t17-,20-,22-/m1/s1
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n/an/a 530n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440976
PNG
(US10640486, Example 10)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(Cn3cc4COCCc4n3)cc2)nn1
Show InChI InChI=1S/C25H26N8O2/c26-24-8-5-19-21(27-24)6-7-22(19)28-25(34)23-14-33(31-29-23)12-17-3-1-16(2-4-17)11-32-13-18-15-35-10-9-20(18)30-32/h1-5,8,13-14,22H,6-7,9-12,15H2,(H2,26,27)(H,28,34)
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n/an/a 560n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441019
PNG
(1-[4-(4-Oxo-5-aza-spiro[2.4]hept-5-ylmethyl)-benzy...)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CCC4(CC4)C3=O)cc2)nn1
Show InChI InChI=1S/C25H27N7O2/c26-22-8-5-18-19(27-22)6-7-20(18)28-23(33)21-15-32(30-29-21)14-17-3-1-16(2-4-17)13-31-12-11-25(9-10-25)24(31)34/h1-5,8,15,20H,6-7,9-14H2,(H2,26,27)(H,28,33)
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n/an/a 580n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440995
PNG
(US10640486, Example 35)
Show SMILES Nc1nccc2[C@@H](CCc12)NC(=O)c1cn(Cc2ccc(nc2)N2CCN3C(COCC3=O)C2)nn1
Show InChI InChI=1S/C24H27N9O3/c25-23-18-2-3-19(17(18)5-6-26-23)28-24(35)20-12-32(30-29-20)10-15-1-4-21(27-9-15)31-7-8-33-16(11-31)13-36-14-22(33)34/h1,4-6,9,12,16,19H,2-3,7-8,10-11,13-14H2,(H2,25,26)(H,28,35)/t16?,19-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441020
PNG
(1-[4-(2-Oxo-3-aza-bicyclo[3.1.0]hex-3-yl)-benzyl]-...)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(cc2)N2CC3CC3C2=O)nn1
Show InChI InChI=1S/C23H23N7O2/c24-21-8-5-16-18(25-21)6-7-19(16)26-22(31)20-12-29(28-27-20)10-13-1-3-15(4-2-13)30-11-14-9-17(14)23(30)32/h1-5,8,12,14,17,19H,6-7,9-11H2,(H2,24,25)(H,26,31)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440984
PNG
(US10640486, Example 18)
Show SMILES Cc1cc(Cn2cc(nn2)C(=O)NC2CCc3nc(N)ccc23)ccc1N1CCN2CCCCC2C1=O
Show InChI InChI=1S/C27H32N8O2/c1-17-14-18(5-9-23(17)35-13-12-33-11-3-2-4-24(33)27(35)37)15-34-16-22(31-32-34)26(36)30-21-8-7-20-19(21)6-10-25(28)29-20/h5-6,9-10,14,16,21,24H,2-4,7-8,11-13,15H2,1H3,(H2,28,29)(H,30,36)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441013
PNG
(US10640486, Example 56)
Show SMILES Cc1cc(Cn2cc(nn2)C(=O)N[C@@H]2CCc3c2ccnc3N)ccc1N1CCN2CCCCC2C1=O
Show InChI InChI=1S/C27H32N8O2/c1-17-14-18(5-8-23(17)35-13-12-33-11-3-2-4-24(33)27(35)37)15-34-16-22(31-32-34)26(36)30-21-7-6-20-19(21)9-10-29-25(20)28/h5,8-10,14,16,21,24H,2-4,6-7,11-13,15H2,1H3,(H2,28,29)(H,30,36)/t21-,24?/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441014
PNG
(US10640486, Example 58)
Show SMILES Cc1cc(Cn2cc(nn2)C(=O)N[C@@H]2CCc3c2ccnc3N)ccc1N1CCN2CCCC2C1=O
Show InChI InChI=1S/C26H30N8O2/c1-16-13-17(4-7-22(16)34-12-11-32-10-2-3-23(32)26(34)36)14-33-15-21(30-31-33)25(35)29-20-6-5-19-18(20)8-9-28-24(19)27/h4,7-9,13,15,20,23H,2-3,5-6,10-12,14H2,1H3,(H2,27,28)(H,29,35)/t20-,23?/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440968
PNG
(US10640486, Example 2)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cnn(Cc2ccc(cc2)N2CCN3CCCC3C2)c1
Show InChI InChI=1S/C26H31N7O/c27-25-10-7-22-23(29-25)8-9-24(22)30-26(34)19-14-28-33(16-19)15-18-3-5-20(6-4-18)32-13-12-31-11-1-2-21(31)17-32/h3-7,10,14,16,21,24H,1-2,8-9,11-13,15,17H2,(H2,27,29)(H,30,34)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440991
PNG
(US10640486, Example 29)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(cc2)C2CC3CCCN3C2=O)nn1
Show InChI InChI=1S/C25H27N7O2/c26-23-10-7-18-20(27-23)8-9-21(18)28-24(33)22-14-31(30-29-22)13-15-3-5-16(6-4-15)19-12-17-2-1-11-32(17)25(19)34/h3-7,10,14,17,19,21H,1-2,8-9,11-13H2,(H2,26,27)(H,28,33)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441050
PNG
(US10640486, Example 59)
Show SMILES Cc1cc(Cn2cc(nn2)C(=O)N[C@H]2CCc3c2ccnc3N)ccc1N1CCN2CCCC2C1=O
Show InChI InChI=1S/C26H30N8O2/c1-16-13-17(4-7-22(16)34-12-11-32-10-2-3-23(32)26(34)36)14-33-15-21(30-31-33)25(35)29-20-6-5-19-18(20)8-9-28-24(19)27/h4,7-9,13,15,20,23H,2-3,5-6,10-12,14H2,1H3,(H2,27,28)(H,29,35)/t20-,23?/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440985
PNG
(US10640486, Example 19)
Show SMILES Cc1cc(N)nc2CCC(NC(=O)c3cn(Cc4ccc(cc4)N4CCN5CCCCC5C4=O)nn3)c12
Show InChI InChI=1S/C27H32N8O2/c1-17-14-24(28)29-20-9-10-21(25(17)20)30-26(36)22-16-34(32-31-22)15-18-5-7-19(8-6-18)35-13-12-33-11-3-2-4-23(33)27(35)37/h5-8,14,16,21,23H,2-4,9-13,15H2,1H3,(H2,28,29)(H,30,36)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441018
PNG
(1-[4-(3-Oxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl...)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(cc2)N2CC3CCCN3C2=O)nn1
Show InChI InChI=1S/C24H26N8O2/c25-22-10-7-18-19(26-22)8-9-20(18)27-23(33)21-14-30(29-28-21)12-15-3-5-16(6-4-15)32-13-17-2-1-11-31(17)24(32)34/h3-7,10,14,17,20H,1-2,8-9,11-13H2,(H2,25,26)(H,27,33)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441040
PNG
(1-[4-(3-Oxo-tetrahydro-imidazo[5,1-c][1,4]oxazin-2...)
Show SMILES Cc1cc(N)nc2CCC(NC(=O)c3cn(Cc4ccc(cc4)N4CC5COCCN5C4=O)nn3)c12
Show InChI InChI=1S/C25H28N8O3/c1-15-10-22(26)27-19-6-7-20(23(15)19)28-24(34)21-13-31(30-29-21)11-16-2-4-17(5-3-16)33-12-18-14-36-9-8-32(18)25(33)35/h2-5,10,13,18,20H,6-9,11-12,14H2,1H3,(H2,26,27)(H,28,34)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440975
PNG
(US10640486, Example 9)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(cc2)N2CCN3CCCCC3C2=O)nn1
Show InChI InChI=1S/C26H30N8O2/c27-24-11-8-19-20(28-24)9-10-21(19)29-25(35)22-16-33(31-30-22)15-17-4-6-18(7-5-17)34-14-13-32-12-2-1-3-23(32)26(34)36/h4-8,11,16,21,23H,1-3,9-10,12-15H2,(H2,27,28)(H,29,35)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440989
PNG
(US10640486, Example 24)
Show SMILES Nc1cc(c2C(CCc2n1)NC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N6O2/c27-26(28,29)19-8-22(30)32-20-5-6-21(23(19)20)33-24(36)17-9-31-35(13-17)11-15-3-1-14(2-4-15)10-34-12-16-7-18(16)25(34)37/h1-4,8-9,13,16,18,21H,5-7,10-12H2,(H2,30,32)(H,33,36)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440980
PNG
(US10640486, Example 14)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CCN4CCCC4C3=O)cc2)nn1
Show InChI InChI=1S/C26H30N8O2/c27-24-10-7-19-20(28-24)8-9-21(19)29-25(35)22-16-34(31-30-22)15-18-5-3-17(4-6-18)14-33-13-12-32-11-1-2-23(32)26(33)36/h3-7,10,16,21,23H,1-2,8-9,11-15H2,(H2,27,28)(H,29,35)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441049
PNG
(US10640486, Example 57)
Show SMILES Cc1cc(Cn2cc(nn2)C(=O)N[C@H]2CCc3c2ccnc3N)ccc1N1CCN2CCCCC2C1=O
Show InChI InChI=1S/C27H32N8O2/c1-17-14-18(5-8-23(17)35-13-12-33-11-3-2-4-24(33)27(35)37)15-34-16-22(31-32-34)26(36)30-21-7-6-20-19(21)9-10-29-25(20)28/h5,8-10,14,16,21,24H,2-4,6-7,11-13,15H2,1H3,(H2,28,29)(H,30,36)/t21-,24?/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441015
PNG
(1-[4-(3-Aza-bicyclo[3.1.0]hex-3-ylmethyl)-benzyl]-...)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CC4CC4C3)cc2)nn1
Show InChI InChI=1S/C24H27N7O/c25-23-8-5-19-20(26-23)6-7-21(19)27-24(32)22-14-31(29-28-22)11-16-3-1-15(2-4-16)10-30-12-17-9-18(17)13-30/h1-5,8,14,17-18,21H,6-7,9-13H2,(H2,25,26)(H,27,32)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440978
PNG
(US10640486, Example 12)
Show SMILES Nc1nccc2CCC(NC(=O)c3cn(Cc4ccc(cc4)N4CCN5CCCCC5C4=O)nn3)c12
Show InChI InChI=1S/C26H30N8O2/c27-24-23-18(10-11-28-24)6-9-20(23)29-25(35)21-16-33(31-30-21)15-17-4-7-19(8-5-17)34-14-13-32-12-2-1-3-22(32)26(34)36/h4-5,7-8,10-11,16,20,22H,1-3,6,9,12-15H2,(H2,27,28)(H,29,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440990
PNG
(US10640486, Example 27)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(cc2)-n2cc3COCCc3n2)nn1
Show InChI InChI=1S/C24H24N8O2/c25-23-8-5-18-20(26-23)6-7-21(18)27-24(33)22-13-31(30-28-22)11-15-1-3-17(4-2-15)32-12-16-14-34-10-9-19(16)29-32/h1-5,8,12-13,21H,6-7,9-11,14H2,(H2,25,26)(H,27,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440977
PNG
(US10640486, Example 11)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2ccc(CN3CCN4C(CCCC4=O)C3)cc2)nn1
Show InChI InChI=1S/C27H32N8O2/c28-25-11-8-21-22(29-25)9-10-23(21)30-27(37)24-17-34(32-31-24)15-19-6-4-18(5-7-19)14-33-12-13-35-20(16-33)2-1-3-26(35)36/h4-8,11,17,20,23H,1-3,9-10,12-16H2,(H2,28,29)(H,30,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM441024
PNG
(1-[3-(1-Oxo-octahydro-pyrido[1,2-a]pyrazin-2-yl)-b...)
Show SMILES Nc1ccc2C(CCc2n1)NC(=O)c1cn(Cc2cccc(c2)N2CCN3CCCCC3C2=O)nn1
Show InChI InChI=1S/C26H30N8O2/c27-24-10-7-19-20(28-24)8-9-21(19)29-25(35)22-16-33(31-30-22)15-17-4-3-5-18(14-17)34-13-12-32-11-2-1-6-23(32)26(34)36/h3-5,7,10,14,16,21,23H,1-2,6,8-9,11-13,15H2,(H2,27,28)(H,29,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM440979
PNG
(US10640486, Example 13)
Show SMILES Nc1cc2CCC(NC(=O)c3cn(Cc4ccc(cc4)N4CCN5CCCCC5C4=O)nn3)c2cn1
Show InChI InChI=1S/C26H30N8O2/c27-24-13-18-6-9-21(20(18)14-28-24)29-25(35)22-16-33(31-30-22)15-17-4-7-19(8-5-17)34-12-11-32-10-2-1-3-23(32)26(34)36/h4-5,7-8,13-14,16,21,23H,1-3,6,9-12,15H2,(H2,27,28)(H,29,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


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

US Patent US10640486 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%