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Patent code US10214546

Compile Data Set for Download or QSAR

Found 213 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))		BDBM358907
PNG
((6R,8aS)-6-(8-amino-1- {4-[(1R)-1-(3- cyclopropylp...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CC1
Show InChI InChI=1S/C31H33N5O2/c1-31(38,24-4-2-3-21(17-24)19-5-6-19)23-10-7-20(8-11-23)27-28-29(32)33-15-16-35(28)30(34-27)22-9-12-25-13-14-26(37)36(25)18-22/h2-4,7-8,10-11,15-17,19,22,25,38H,5-6,9,12-14,18H2,1H3,(H2,32,33)/t22-,25+,31-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359027
PNG
((6R,8aS)-6-[8-amino-1- (4-{1-[3-(2,2- difluorocycl...)
Show SMILES CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CC1(F)F
Show InChI InChI=1S/C31H31F2N5O2/c1-30(40,22-4-2-3-19(15-22)24-16-31(24,32)33)21-8-5-18(6-9-21)26-27-28(34)35-13-14-37(27)29(36-26)20-7-10-23-11-12-25(39)38(23)17-20/h2-6,8-9,13-15,20,23-24,40H,7,10-12,16-17H2,1H3,(H2,34,35)/t20-,23+,24?,30?/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359027
PNG
((6R,8aS)-6-[8-amino-1- (4-{1-[3-(2,2- difluorocycl...)
Show SMILES CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CC1(F)F
Show InChI InChI=1S/C31H31F2N5O2/c1-30(40,22-4-2-3-19(15-22)24-16-31(24,32)33)21-8-5-18(6-9-21)26-27-28(34)35-13-14-37(27)29(36-26)20-7-10-23-11-12-25(39)38(23)17-20/h2-6,8-9,13-15,20,23-24,40H,7,10-12,16-17H2,1H3,(H2,34,35)/t20-,23+,24?,30?/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359045
PNG
((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-[3- (difluoromet...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC3(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)F
Show InChI InChI=1S/C31H33F2N5O2/c1-30(2)16-24(39)38-17-20(9-12-23(30)38)29-36-25(26-28(34)35-13-14-37(26)29)18-7-10-21(11-8-18)31(3,40)22-6-4-5-19(15-22)27(32)33/h4-8,10-11,13-15,20,23,27,40H,9,12,16-17H2,1-3H3,(H2,34,35)/t20-,23+,31-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358985
PNG
((6R,8aS)-6-(8-amino-5- chloro-1-{4-[(1R)-1-(3- cyc...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C1CC1
Show InChI InChI=1S/C31H32ClN5O2/c1-31(39,23-4-2-3-20(15-23)18-5-6-18)22-10-7-19(8-11-22)27-28-29(33)34-16-25(32)37(28)30(35-27)21-9-12-24-13-14-26(38)36(24)17-21/h2-4,7-8,10-11,15-16,18,21,24,39H,5-6,9,12-14,17H2,1H3,(H2,33,34)/t21-,24+,31-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358952
PNG
((6R,8aS)-6-(8-amino-1- {4-[(1R)-1-(3- cyclobutylph...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CCC1
Show InChI InChI=1S/C32H35N5O2/c1-32(39,25-7-3-6-22(18-25)20-4-2-5-20)24-11-8-21(9-12-24)28-29-30(33)34-16-17-36(29)31(35-28)23-10-13-26-14-15-27(38)37(26)19-23/h3,6-9,11-12,16-18,20,23,26,39H,2,4-5,10,13-15,19H2,1H3,(H2,33,34)/t23-,26+,32-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359002
PNG
((6R,8aS)-6-[8-amino-5- chloro-1-(4-{(1R)-1-[3- (di...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C(F)F
Show InChI InChI=1S/C29H28ClF2N5O2/c1-29(39,20-4-2-3-17(13-20)26(31)32)19-8-5-16(6-9-19)24-25-27(33)34-14-22(30)37(25)28(35-24)18-7-10-21-11-12-23(38)36(21)15-18/h2-6,8-9,13-14,18,21,26,39H,7,10-12,15H2,1H3,(H2,33,34)/t18-,21+,29-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358961
PNG
((6R,8aS)-6-(8-amino-1- (4-[(1R)-1-(3- ethylphenyl)...)
Show SMILES CCc1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
Show InChI InChI=1S/C30H33N5O2/c1-3-19-5-4-6-23(17-19)30(2,37)22-10-7-20(8-11-22)26-27-28(31)32-15-16-34(27)29(33-26)21-9-12-24-13-14-25(36)35(24)18-21/h4-8,10-11,15-17,21,24,37H,3,9,12-14,18H2,1-2H3,(H2,31,32)/t21-,24+,30-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359068
PNG
((6R,8aS)-6-[8-amino-1- (4-{1-[3- (difluoromethyl)p...)
Show SMILES CC(O)(c1cccc(c1)C(F)F)c1ccc(-c2nc([C@@H]3CC[C@@H]4N(C3)C(=O)CC4(C)C)n3ccnc(N)c23)c(F)c1
Show InChI InChI=1S/C31H32F3N5O2/c1-30(2)15-24(40)39-16-18(7-10-23(30)39)29-37-25(26-28(35)36-11-12-38(26)29)21-9-8-20(14-22(21)32)31(3,41)19-6-4-5-17(13-19)27(33)34/h4-6,8-9,11-14,18,23,27,41H,7,10,15-16H2,1-3H3,(H2,35,36)/t18-,23+,31?/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359057
PNG
((6'R,8a'S)-6'-[8-amino- 1-(4-{(1R)-1-[3- (difluoro...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC32CC2)n2ccnc(N)c12)c1cccc(c1)C(F)F
Show InChI InChI=1S/C31H31F2N5O2/c1-30(40,22-4-2-3-19(15-22)27(32)33)21-8-5-18(6-9-21)25-26-28(34)35-13-14-37(26)29(36-25)20-7-10-23-31(11-12-31)16-24(39)38(23)17-20/h2-6,8-9,13-15,20,23,27,40H,7,10-12,16-17H2,1H3,(H2,34,35)/t20-,23+,30-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358947
PNG
((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-hydroxy-1- [3-(2...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(CC(F)(F)F)c1
Show InChI InChI=1S/C30H30F3N5O2/c1-29(40,22-4-2-3-18(15-22)16-30(31,32)33)21-8-5-19(6-9-21)25-26-27(34)35-13-14-37(26)28(36-25)20-7-10-23-11-12-24(39)38(23)17-20/h2-6,8-9,13-15,20,23,40H,7,10-12,16-17H2,1H3,(H2,34,35)/t20-,23+,29-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358989
PNG
((6R,8aS)-6-[8-amino-5- chloro-1-(4-{(1R)-1- hydrox...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(CC(F)(F)F)c1
Show InChI InChI=1S/C30H29ClF3N5O2/c1-29(41,21-4-2-3-17(13-21)14-30(32,33)34)20-8-5-18(6-9-20)25-26-27(35)36-15-23(31)39(26)28(37-25)19-7-10-22-11-12-24(40)38(22)16-19/h2-6,8-9,13,15,19,22,41H,7,10-12,14,16H2,1H3,(H2,35,36)/t19-,22+,29-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358940
PNG
((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-[3- (difluoromet...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)F
Show InChI InChI=1S/C29H29F2N5O2/c1-29(38,21-4-2-3-18(15-21)26(30)31)20-8-5-17(6-9-20)24-25-27(32)33-13-14-35(25)28(34-24)19-7-10-22-11-12-23(37)36(22)16-19/h2-6,8-9,13-15,19,22,26,38H,7,10-12,16H2,1H3,(H2,32,33)/t19-,22+,29-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359049
PNG
((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-[3- (difluoromet...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)F
Show InChI InChI=1S/C31H33F2N5O2/c1-30(2)16-23-12-9-20(17-38(23)29(30)39)28-36-24(25-27(34)35-13-14-37(25)28)18-7-10-21(11-8-18)31(3,40)22-6-4-5-19(15-22)26(32)33/h4-8,10-11,13-15,20,23,26,40H,9,12,16-17H2,1-3H3,(H2,34,35)/t20-,23+,31-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359012
PNG
((6R,8aS)-6-[8-amino-1- (4-{1-[3- (difluoromethoxy)...)
Show SMILES CC(O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(OC(F)F)c1
Show InChI InChI=1S/C29H29F2N5O3/c1-29(38,20-3-2-4-22(15-20)39-28(30)31)19-8-5-17(6-9-19)24-25-26(32)33-13-14-35(25)27(34-24)18-7-10-21-11-12-23(37)36(21)16-18/h2-6,8-9,13-15,18,21,28,38H,7,10-12,16H2,1H3,(H2,32,33)/t18-,21+,29?/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358944
PNG
((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-hydroxy-1-[3(1- ...)
Show SMILES CC(C)c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
Show InChI InChI=1S/C31H35N5O2/c1-19(2)21-5-4-6-24(17-21)31(3,38)23-10-7-20(8-11-23)27-28-29(32)33-15-16-35(28)30(34-27)22-9-12-25-13-14-26(37)36(25)18-22/h4-8,10-11,15-17,19,22,25,38H,9,12-14,18H2,1-3H3,(H2,32,33)/t22-,25+,31-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359008
PNG
((6R,8aS)-6-[8-amino-5- chloro-1-(4-{(1R)-1-[3-(1,1...)
Show SMILES CC(F)(F)c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12
Show InChI InChI=1S/C30H30ClF2N5O2/c1-29(40,20-4-3-5-21(14-20)30(2,32)33)19-9-6-17(7-10-19)25-26-27(34)35-15-23(31)38(26)28(36-25)18-8-11-22-12-13-24(39)37(22)16-18/h3-7,9-10,14-15,18,22,40H,8,11-13,16H2,1-2H3,(H2,34,35)/t18-,22+,29-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358982
PNG
((4aS,7R)-7-[8-amino-1- (4-{(1R)-1-hydroxy-1-[3- (t...)
Show SMILES CN1CC[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C30H31F3N6O2/c1-29(41,21-4-3-5-22(16-21)30(31,32)33)20-9-6-18(7-10-20)24-25-26(34)35-13-15-38(25)27(36-24)19-8-11-23-12-14-37(2)28(40)39(23)17-19/h3-7,9-10,13,15-16,19,23,41H,8,11-12,14,17H2,1-2H3,(H2,34,35)/t19-,23+,29-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358915
PNG
((6R,8aS)-6-(8-amino-1- (4-[(1R)-1-hydroxy-1-(3- me...)
Show SMILES Cc1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
Show InChI InChI=1S/C29H31N5O2/c1-18-4-3-5-22(16-18)29(2,36)21-9-6-19(7-10-21)25-26-27(30)31-14-15-33(26)28(32-25)20-8-11-23-12-13-24(35)34(23)17-20/h3-7,9-10,14-16,20,23,36H,8,11-13,17H2,1-2H3,(H2,30,31)/t20-,23+,29-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358909
PNG
((6R,8aS)-6-(8-amino-1- {4-[(1R)-1-(3-tert- bulylph...)
Show SMILES CC(C)(C)c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
Show InChI InChI=1S/C32H37N5O2/c1-31(2,3)23-6-5-7-24(18-23)32(4,39)22-11-8-20(9-12-22)27-28-29(33)34-16-17-36(28)30(35-27)21-10-13-25-14-15-26(38)37(25)19-21/h5-9,11-12,16-18,21,25,39H,10,13-15,19H2,1-4H3,(H2,33,34)/t21-,25+,32-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359029
PNG
((6S,8aR)-6-[8-amino-1- (4-{(1R)-1-hydroxy-1-[3- (t...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2CC[C@H]3N(C2)C(=O)CC3(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H32F3N5O2/c1-29(2)16-24(40)39-17-19(9-12-23(29)39)28-37-25(26-27(35)36-13-14-38(26)28)18-7-10-20(11-8-18)30(3,41)21-5-4-6-22(15-21)31(32,33)34/h4-8,10-11,13-15,19,23,41H,9,12,16-17H2,1-3H3,(H2,35,36)/t19-,23+,30+/m0/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358966
PNG
((6R,8aS)-6-(8-amino-1- {4-[(1R)-1-(3- cyclopropylp...)
Show SMILES COc1cc(ccc1[C@](C)(O)c1cccc(c1)C1CC1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
Show InChI InChI=1S/C32H35N5O3/c1-32(39,23-5-3-4-20(16-23)19-6-7-19)25-12-9-21(17-26(25)40-2)28-29-30(33)34-14-15-36(29)31(35-28)22-8-10-24-11-13-27(38)37(24)18-22/h3-5,9,12,14-17,19,22,24,39H,6-8,10-11,13,18H2,1-2H3,(H2,33,34)/t22-,24+,32-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359000
PNG
((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-[3-(1,1- difluor...)
Show SMILES CC(F)(F)c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
Show InChI InChI=1S/C30H31F2N5O2/c1-29(39,21-4-3-5-22(16-21)30(2,31)32)20-9-6-18(7-10-20)25-26-27(33)34-14-15-36(26)28(35-25)19-8-11-23-12-13-24(38)37(23)17-19/h3-7,9-10,14-16,19,23,39H,8,11-13,17H2,1-2H3,(H2,33,34)/t19-,23+,29-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359060
PNG
((6R,8aS)-6-(8-amino-1- (4-{1-[3- (difluoromethyl)p...)
Show SMILES CC(O)(c1cccc(c1)C(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c(F)c1
Show InChI InChI=1S/C29H28F3N5O2/c1-29(39,18-4-2-3-16(13-18)26(31)32)19-6-9-21(22(30)14-19)24-25-27(33)34-11-12-36(25)28(35-24)17-5-7-20-8-10-23(38)37(20)15-17/h2-4,6,9,11-14,17,20,26,39H,5,7-8,10,15H2,1H3,(H2,33,34)/t17-,20+,29?/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358941
PNG
((6R,8aS)-6-[8-amino-1- (4-{hydroxy[3- (trifluorome...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(O)c3cccc(c3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
Show InChI InChI=1S/C28H26F3N5O2/c29-28(30,31)20-3-1-2-18(14-20)25(38)17-6-4-16(5-7-17)23-24-26(32)33-12-13-35(24)27(34-23)19-8-9-21-10-11-22(37)36(21)15-19/h1-7,12-14,19,21,25,38H,8-11,15H2,(H2,32,33)/t19-,21+,25?/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359069
PNG
((6R,8aS)-6-[8-amino-1- (4-{1-[3- (difluoromethyl)p...)
Show SMILES CC(O)(c1cccc(c1)C(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CC(C)(C)C(=O)N4C3)n3ccnc(N)c23)c(F)c1
Show InChI InChI=1S/C31H32F3N5O2/c1-30(2)15-21-9-7-18(16-39(21)29(30)40)28-37-24(25-27(35)36-11-12-38(25)28)22-10-8-20(14-23(22)32)31(3,41)19-6-4-5-17(13-19)26(33)34/h4-6,8,10-14,18,21,26,41H,7,9,15-16H2,1-3H3,(H2,35,36)/t18-,21+,31?/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359050
PNG
((1R,6R,8aS)-6-[8- amino-1-(4-{(1R)-1-[3- (difluoro...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3C(CC(=O)N3C2)C(F)(F)F)n2ccnc(N)c12)c1cccc(c1)C(F)F
Show InChI InChI=1S/C30H28F5N5O2/c1-29(42,20-4-2-3-17(13-20)26(31)32)19-8-5-16(6-9-19)24-25-27(36)37-11-12-39(25)28(38-24)18-7-10-22-21(30(33,34)35)14-23(41)40(22)15-18/h2-6,8-9,11-13,18,21-22,26,42H,7,10,14-15H2,1H3,(H2,36,37)/t18-,21?,22+,29-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358921
PNG
((6R,8aS)-6-(8-amino-1- {4-[(1R)-1-(3- chlorophenyl...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(Cl)c1
Show InChI InChI=1S/C28H28ClN5O2/c1-28(36,20-3-2-4-21(29)15-20)19-8-5-17(6-9-19)24-25-26(30)31-13-14-33(25)27(32-24)18-7-10-22-11-12-23(35)34(22)16-18/h2-6,8-9,13-15,18,22,36H,7,10-12,16H2,1H3,(H2,30,31)/t18-,22+,28-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358960
PNG
((6R,8aS)-6-(8-amino-1- {4-[(1S)-1-(3- ethylphenyl)...)
Show SMILES CCc1cccc(c1)[C@@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
Show InChI InChI=1S/C30H33N5O2/c1-3-19-5-4-6-23(17-19)30(2,37)22-10-7-20(8-11-22)26-27-28(31)32-15-16-34(27)29(33-26)21-9-12-24-13-14-25(36)35(24)18-21/h4-8,10-11,15-17,21,24,37H,3,9,12-14,18H2,1-2H3,(H2,31,32)/t21-,24+,30+/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358902
PNG
((6R,8aS)-6-(8-amino-1- {2-methoxy-4-[(1S)- 2,2,2-t...)
Show SMILES COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)[C@@](O)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O3/c1-40-22-15-19(28(39,29(30,31)32)18-5-3-2-4-6-18)8-11-21(22)24-25-26(33)34-13-14-36(25)27(35-24)17-7-9-20-10-12-23(38)37(20)16-17/h2-6,8,11,13-15,17,20,39H,7,9-10,12,16H2,1H3,(H2,33,34)/t17-,20+,28+/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359078
PNG
((6R,8aS)-6-[8-amino-1- (4-{1-[3- (difluoromethyl)p...)
Show SMILES COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(O)(c1cccc(c1)C(F)F)C(F)(F)F
Show InChI InChI=1S/C30H28F5N5O3/c1-43-22-14-19(29(42,30(33,34)35)18-4-2-3-16(13-18)26(31)32)6-9-21(22)24-25-27(36)37-11-12-39(25)28(38-24)17-5-7-20-8-10-23(41)40(20)15-17/h2-4,6,9,11-14,17,20,26,42H,5,7-8,10,15H2,1H3,(H2,36,37)/t17-,20+,29?/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358873
PNG
(US10214546, Example 4)
Show SMILES C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2/c1-28(39,20-3-2-4-21(15-20)29(30,31)32)19-8-5-17(6-9-19)24-25-26(33)34-13-14-36(25)27(35-24)18-7-10-22-11-12-23(38)37(22)16-18/h2-6,8-9,13-15,18,22,39H,7,10-12,16H2,1H3,(H2,33,34)/t18-,22+,28+/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359030
PNG
((6R,8aS)-6-[8-amino-1- (2-ethoxy-4-{1- hydroxy-1-[...)
Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(C)(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H32F3N5O3/c1-3-42-24-16-20(30(2,41)19-5-4-6-21(15-19)31(32,33)34)8-11-23(24)26-27-28(35)36-13-14-38(27)29(37-26)18-7-9-22-10-12-25(40)39(22)17-18/h4-6,8,11,13-16,18,22,41H,3,7,9-10,12,17H2,1-2H3,(H2,35,36)/t18-,22+,30?/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359081
PNG
((6R,8aS)-6-[8-amino-1- (2-ethoxy-6-fluoro-4- {(1R)...)
Show SMILES CCOc1cc(cc(F)c1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)[C@](C)(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H31F4N5O3/c1-3-43-23-15-20(30(2,42)18-5-4-6-19(13-18)31(33,34)35)14-22(32)25(23)26-27-28(36)37-11-12-39(27)29(38-26)17-7-8-21-9-10-24(41)40(21)16-17/h4-6,11-15,17,21,42H,3,7-10,16H2,1-2H3,(H2,36,37)/t17-,21+,30-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359067
PNG
((6R,8aS)-6-(8-amino-1- (4-{(1R)-1-[3- (difluoromet...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(F)cnc(N)c12)c1cccc(c1)C(F)F
Show InChI InChI=1S/C29H28F3N5O2/c1-29(39,20-4-2-3-17(13-20)26(31)32)19-8-5-16(6-9-19)24-25-27(33)34-14-22(30)37(25)28(35-24)18-7-10-21-11-12-23(38)36(21)15-18/h2-6,8-9,13-14,18,21,26,39H,7,10-12,15H2,1H3,(H2,33,34)/t18-,21+,29-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358903
PNG
((6R,8aS)-6-(8-amino-1- {2-methoxy-4-[(1S)- 2,2,2-t...)
Show SMILES COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(O)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O3/c1-40-22-15-19(28(39,29(30,31)32)18-5-3-2-4-6-18)8-11-21(22)24-25-26(33)34-13-14-36(25)27(35-24)17-7-9-20-10-12-23(38)37(20)16-17/h2-6,8,11,13-15,17,20,39H,7,9-10,12,16H2,1H3,(H2,33,34)/t17-,20+,28?/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358875
PNG
(US10214546, Example 6)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H27ClF3N5O2/c1-28(40,19-3-2-4-20(13-19)29(31,32)33)18-8-5-16(6-9-18)24-25-26(34)35-14-22(30)38(25)27(36-24)17-7-10-21-11-12-23(39)37(21)15-17/h2-6,8-9,13-14,17,21,40H,7,10-12,15H2,1H3,(H2,34,35)/t17-,21+,28-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358876
PNG
(US10214546, Example 7)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H32F3N5O2/c1-29(2)16-23-12-9-19(17-39(23)28(29)40)27-37-24(25-26(35)36-13-14-38(25)27)18-7-10-20(11-8-18)30(3,41)21-5-4-6-22(15-21)31(32,33)34/h4-8,10-11,13-15,19,23,41H,9,12,16-17H2,1-3H3,(H2,35,36)/t19-,23+,30-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358984
PNG
((6R,8aS)-6-(8-amino-5- chloro-1-{4-[(1S)-1-(3- cyc...)
Show SMILES C[C@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C1CC1
Show InChI InChI=1S/C31H32ClN5O2/c1-31(39,23-4-2-3-20(15-23)18-5-6-18)22-10-7-19(8-11-22)27-28-29(33)34-16-25(32)37(28)30(35-27)21-9-12-24-13-14-26(38)36(24)17-21/h2-4,7-8,10-11,15-16,18,21,24,39H,5-6,9,12-14,17H2,1H3,(H2,33,34)/t21-,24+,31+/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358926
PNG
((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-hydroxy-1-[3- (t...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C29H28F3N5O3/c1-28(39,20-3-2-4-22(15-20)40-29(30,31)32)19-8-5-17(6-9-19)24-25-26(33)34-13-14-36(25)27(35-24)18-7-10-21-11-12-23(38)37(21)16-18/h2-6,8-9,13-15,18,21,39H,7,10-12,16H2,1H3,(H2,33,34)/t18-,21+,28-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358928
PNG
((6R,8aS)-6-(8-amino-1- {4-[(1R)-1-biphenyl-3- yl-1...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C34H33N5O2/c1-34(41,27-9-5-8-24(20-27)22-6-3-2-4-7-22)26-13-10-23(11-14-26)30-31-32(35)36-18-19-38(31)33(37-30)25-12-15-28-16-17-29(40)39(28)21-25/h2-11,13-14,18-20,25,28,41H,12,15-17,21H2,1H3,(H2,35,36)/t25-,28+,34-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358978
PNG
((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-hydroxy-1- [3-(2...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C(C)(C)C(F)(F)F
Show InChI InChI=1S/C32H34F3N5O2/c1-30(2,32(33,34)35)22-5-4-6-23(17-22)31(3,42)21-10-7-19(8-11-21)26-27-28(36)37-15-16-39(27)29(38-26)20-9-12-24-13-14-25(41)40(24)18-20/h4-8,10-11,15-17,20,24,42H,9,12-14,18H2,1-3H3,(H2,36,37)/t20-,24+,31-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359059
PNG
((6R,8aS)-6-[8-amino-1- (2-fluoro-4-{1- hydroxy-1-[...)
Show SMILES CC(O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@@H]4N(C3)C(=O)CC4(C)C)n3ccnc(N)c23)c(F)c1
Show InChI InChI=1S/C31H31F4N5O2/c1-29(2)15-24(41)40-16-17(7-10-23(29)40)28-38-25(26-27(36)37-11-12-39(26)28)21-9-8-19(14-22(21)32)30(3,42)18-5-4-6-20(13-18)31(33,34)35/h4-6,8-9,11-14,17,23,42H,7,10,15-16H2,1-3H3,(H2,36,37)/t17-,23+,30?/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358914
PNG
((6R,8aS)-6-(8-amino-1- {4-[(1R)-1-hydroxy-1-(3- me...)
Show SMILES COc1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
Show InChI InChI=1S/C29H31N5O3/c1-29(36,21-4-3-5-23(16-21)37-2)20-9-6-18(7-10-20)25-26-27(30)31-14-15-33(26)28(32-25)19-8-11-22-12-13-24(35)34(22)17-19/h3-7,9-10,14-16,19,22,36H,8,11-13,17H2,1-2H3,(H2,30,31)/t19-,22+,29-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359056
PNG
((6'R,8a'S)-6'-[8-amino- 1-(4-{(1R)-1-hydroxy-1-[3-...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC32CC2)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H30F3N5O2/c1-29(41,21-3-2-4-22(15-21)31(32,33)34)20-8-5-18(6-9-20)25-26-27(35)36-13-14-38(26)28(37-25)19-7-10-23-30(11-12-30)16-24(40)39(23)17-19/h2-6,8-9,13-15,19,23,41H,7,10-12,16-17H2,1H3,(H2,35,36)/t19-,23+,29-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM358992
PNG
((6R,8aS)-6-[8-amino-5- chloro-1-(4-{(1R)-1- hydrox...)
Show SMILES CC(C)(c1cccc(c1)[C@](C)(O)c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(F)(F)F
Show InChI InChI=1S/C32H33ClF3N5O2/c1-30(2,32(34,35)36)21-5-4-6-22(15-21)31(3,43)20-10-7-18(8-11-20)26-27-28(37)38-16-24(33)41(27)29(39-26)19-9-12-23-13-14-25(42)40(23)17-19/h4-8,10-11,15-16,19,23,43H,9,12-14,17H2,1-3H3,(H2,37,38)/t19-,23+,31-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359058
PNG
((6R,8aS)-6-[8-amino-5- chloro-1-(2-fluoro-4- {1-hy...)
Show SMILES CC(O)(c1cccc(c1)C(F)(F)F)c1ccc(-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(Cl)cnc(N)c23)c(F)c1
Show InChI InChI=1S/C29H26ClF4N5O2/c1-28(41,16-3-2-4-18(11-16)29(32,33)34)17-6-9-20(21(31)12-17)24-25-26(35)36-13-22(30)39(25)27(37-24)15-5-7-19-8-10-23(40)38(19)14-15/h2-4,6,9,11-13,15,19,41H,5,7-8,10,14H2,1H3,(H2,35,36)/t15-,19+,28?/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359054
PNG
((6R,8aS)-6-[8-amino-1- (2-ethoxy-4-{(1S)-1- hydrox...)
Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC3(C)C)n2ccnc(N)c12)[C@@](C)(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C33H36F3N5O3/c1-5-44-24-16-21(32(4,43)20-7-6-8-22(15-20)33(34,35)36)10-11-23(24)27-28-29(37)38-13-14-40(28)30(39-27)19-9-12-25-31(2,3)17-26(42)41(25)18-19/h6-8,10-11,13-16,19,25,43H,5,9,12,17-18H2,1-4H3,(H2,37,38)/t19-,25+,32+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359046
PNG
((6R.8aS)-6-[8-amino-1- (4-{(1R)-1-[3- (difluoromet...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2c(F)cnc(N)c12)c1cccc(c1)C(F)F
Show InChI InChI=1S/C31H32F3N5O2/c1-30(2)14-22-12-9-19(16-38(22)29(30)40)28-37-24(25-27(35)36-15-23(32)39(25)28)17-7-10-20(11-8-17)31(3,41)21-6-4-5-18(13-21)26(33)34/h4-8,10-11,13,15,19,22,26,41H,9,12,14,16H2,1-3H3,(H2,35,36)/t19-,22+,31-/m1/s1
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US Patent
n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359050
PNG
((1R,6R,8aS)-6-[8- amino-1-(4-{(1R)-1-[3- (difluoro...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3C(CC(=O)N3C2)C(F)(F)F)n2ccnc(N)c12)c1cccc(c1)C(F)F
Show InChI InChI=1S/C30H28F5N5O2/c1-29(42,20-4-2-3-17(13-20)26(31)32)19-8-5-16(6-9-19)24-25-27(36)37-11-12-39(25)28(38-24)18-7-10-22-21(30(33,34)35)14-23(41)40(22)15-18/h2-6,8-9,11-13,18,21-22,26,42H,7,10,14-15H2,1H3,(H2,36,37)/t18-,21?,22+,29-/m1/s1
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MMDB

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US Patent
n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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

US Patent US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%