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Patent code US9481682

Compile Data Set for Download or QSAR

Found 221 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))		BDBM255471
PNG
(US9481682, 10)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C27H24F3N7O2/c28-27(29,30)18-9-10-32-20(13-18)34-26(39)16-3-1-15(2-4-16)22-23-24(31)33-11-12-36(23)25(35-22)17-5-6-19-7-8-21(38)37(19)14-17/h1-4,9-13,17,19H,5-8,14H2,(H2,31,33)(H,32,34,39)/t17-,19-/m1/s1
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n/an/a 14.7n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255262
PNG
(US9481682, 11)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C27H24F3N7O2/c28-27(29,30)18-9-10-32-20(13-18)34-26(39)16-3-1-15(2-4-16)22-23-24(31)33-11-12-36(23)25(35-22)17-5-6-19-7-8-21(38)37(19)14-17/h1-4,9-13,17,19H,5-8,14H2,(H2,31,33)(H,32,34,39)/t17-,19-/m0/s1
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n/an/a 15.3n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255271
PNG
(US9481682, 20)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccc(n3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C26H23F3N8O2/c27-26(28,29)18-9-10-32-25(33-18)35-24(39)15-3-1-14(2-4-15)20-21-22(30)31-11-12-36(21)23(34-20)16-5-6-17-7-8-19(38)37(17)13-16/h1-4,9-12,16-17H,5-8,13H2,(H2,30,31)(H,32,33,35,39)/t16-,17+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255273
PNG
(US9481682, 22)
Show SMILES Cc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
Show InChI InChI=1S/C28H26F3N7O2/c1-15-12-16(3-6-20(15)27(40)35-21-13-18(8-9-33-21)28(29,30)31)23-24-25(32)34-10-11-37(24)26(36-23)17-2-4-19-5-7-22(39)38(19)14-17/h3,6,8-13,17,19H,2,4-5,7,14H2,1H3,(H2,32,34)(H,33,35,40)/t17-,19+/m1/s1
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n/an/a 0.410n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255276
PNG
(US9481682, 25)
Show SMILES CC(F)(F)c1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c1 |r|
Show InChI InChI=1S/C28H26F3N7O2/c1-28(30,31)17-8-9-33-21(13-17)35-27(40)19-6-3-15(12-20(19)29)23-24-25(32)34-10-11-37(24)26(36-23)16-2-4-18-5-7-22(39)38(18)14-16/h3,6,8-13,16,18H,2,4-5,7,14H2,1H3,(H2,32,34)(H,33,35,40)/t16-,18+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255277
PNG
(US9481682, 26)
Show SMILES Nc1nccn2c(nc(-c3ccc(C(=O)Nc4cc(ccn4)C(F)F)c(F)c3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C27H24F3N7O2/c28-19-11-14(2-5-18(19)27(39)34-20-12-15(24(29)30)7-8-32-20)22-23-25(31)33-9-10-36(23)26(35-22)16-1-3-17-4-6-21(38)37(17)13-16/h2,5,7-12,16-17,24H,1,3-4,6,13H2,(H2,31,33)(H,32,34,39)/t16-,17+/m1/s1
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n/an/a 1.5n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255300
PNG
(US9481682, 49)
Show SMILES C[C@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H24F3N7O3/c1-14-19-7-6-17(13-37(19)26(39)40-14)24-35-21(22-23(31)33-10-11-36(22)24)15-2-4-16(5-3-15)25(38)34-20-12-18(8-9-32-20)27(28,29)30/h2-5,8-12,14,17,19H,6-7,13H2,1H3,(H2,31,33)(H,32,34,38)/t14-,17-,19+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255304
PNG
(US9481682, 53)
Show SMILES COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3[C@@H](C)OC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C1CC1 |r|
Show InChI InChI=1S/C30H31N7O4/c1-16-22-8-6-20(15-37(22)30(39)41-16)28-35-25(26-27(31)33-11-12-36(26)28)21-7-5-19(13-23(21)40-2)29(38)34-24-14-18(9-10-32-24)17-3-4-17/h5,7,9-14,16-17,20,22H,3-4,6,8,15H2,1-2H3,(H2,31,33)(H,32,34,38)/t16-,20-,22+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255309
PNG
(US9481682, 58)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H]2C[C@H](O)C(=O)N2C1 |r|
Show InChI InChI=1S/C27H24F3N7O3/c28-27(29,30)17-7-8-32-20(11-17)34-25(39)15-3-1-14(2-4-15)21-22-23(31)33-9-10-36(22)24(35-21)16-5-6-18-12-19(38)26(40)37(18)13-16/h1-4,7-11,16,18-19,38H,5-6,12-13H2,(H2,31,33)(H,32,34,39)/t16-,18+,19-/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255317
PNG
(US9481682, 66)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CN(CCO)CC(=O)N2C1 |r|
Show InChI InChI=1S/C29H29F3N8O3/c30-29(31,32)20-7-8-34-22(13-20)36-28(43)18-3-1-17(2-4-18)24-25-26(33)35-9-10-39(25)27(37-24)19-5-6-21-15-38(11-12-41)16-23(42)40(21)14-19/h1-4,7-10,13,19,21,41H,5-6,11-12,14-16H2,(H2,33,35)(H,34,36,43)/t19-,21+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255321
PNG
(US9481682, 70)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3OCc3ccccc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C34H30F3N7O3/c35-34(36,37)23-12-13-39-27(17-23)41-33(46)21-7-10-25(26(16-21)47-19-20-4-2-1-3-5-20)29-30-31(38)40-14-15-43(30)32(42-29)22-6-8-24-9-11-28(45)44(24)18-22/h1-5,7,10,12-17,22,24H,6,8-9,11,18-19H2,(H2,38,40)(H,39,41,46)/t22-,24+/m1/s1
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n/an/a 10.7n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255345
PNG
(US9481682, 95)
Show SMILES CC1(C)C[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C29H28F3N7O2/c1-28(2)14-20-8-7-18(15-39(20)27(28)41)25-37-22(23-24(33)35-11-12-38(23)25)16-3-5-17(6-4-16)26(40)36-21-13-19(9-10-34-21)29(30,31)32/h3-6,9-13,18,20H,7-8,14-15H2,1-2H3,(H2,33,35)(H,34,36,40)/t18-,20+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255356
PNG
(US9481682, 106)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc4ccccc4cn3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C30H27N7O2/c31-28-27-26(35-29(36(27)14-13-32-28)22-9-10-23-11-12-25(38)37(23)17-22)18-5-7-19(8-6-18)30(39)34-24-15-20-3-1-2-4-21(20)16-33-24/h1-8,13-16,22-23H,9-12,17H2,(H2,31,32)(H,33,34,39)/t22-,23+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255366
PNG
(US9481682, 117)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(c(cn3)C#N)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C28H23F3N8O2/c29-28(30,31)20-11-21(35-13-18(20)12-32)36-27(41)16-3-1-15(2-4-16)23-24-25(33)34-9-10-38(24)26(37-23)17-5-6-19-7-8-22(40)39(19)14-17/h1-4,9-11,13,17,19H,5-8,14H2,(H2,33,34)(H,35,36,41)/t17-,19+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255368
PNG
(US9481682, 119)
Show SMILES Nc1nccn2c(nc(-c3ccc(nc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C26H23F3N8O2/c27-26(28,29)16-7-8-31-19(11-16)34-25(39)18-5-2-14(12-33-18)21-22-23(30)32-9-10-36(22)24(35-21)15-1-3-17-4-6-20(38)37(17)13-15/h2,5,7-12,15,17H,1,3-4,6,13H2,(H2,30,32)(H,31,34,39)/t15-,17+/m1/s1
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n/an/a 3.30n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255378
PNG
(US9481682, 129)
Show SMILES COc1cccc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)n1 |r|
Show InChI InChI=1S/C27H27N7O3/c1-37-21-4-2-3-20(30-21)31-27(36)17-7-5-16(6-8-17)23-24-25(28)29-13-14-33(24)26(32-23)18-9-10-19-11-12-22(35)34(19)15-18/h2-8,13-14,18-19H,9-12,15H2,1H3,(H2,28,29)(H,30,31,36)/t18-,19+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255382
PNG
(US9481682, 133)
Show SMILES CCOc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12 |r|
Show InChI InChI=1S/C29H26ClF4N7O3/c1-2-44-20-11-17(28(43)38-22-9-15(7-8-36-22)29(32,33)34)19(31)10-18(20)24-25-26(35)37-12-21(30)41(25)27(39-24)14-3-4-16-5-6-23(42)40(16)13-14/h7-12,14,16H,2-6,13H2,1H3,(H2,35,37)(H,36,38,43)/t14-,16+/m1/s1
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n/an/a 0.550n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255383
PNG
(US9481682, 134)
Show SMILES COc1cc(cc(F)c1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wU:12.12,wD:15.21,(2.36,-.45,;.87,-.84,;-.22,.25,;.18,1.73,;-.91,2.82,;-2.4,2.42,;-2.8,.94,;-4.28,1.33,;-1.71,-.15,;-2.1,-1.64,;-1.2,-2.89,;-2.1,-4.13,;-1.71,-5.62,;-2.8,-6.71,;-2.4,-8.2,;-.91,-8.6,;-.21,-9.97,;1.31,-9.73,;1.55,-8.21,;2.89,-7.44,;.18,-7.51,;-.22,-6.02,;-3.57,-3.66,;-4.9,-4.43,;-6.24,-3.66,;-6.24,-2.12,;-4.9,-1.35,;-4.9,.19,;-3.57,-2.12,;-.51,4.31,;-1.6,5.4,;.98,4.71,;1.38,6.2,;2.86,6.59,;3.26,8.08,;2.17,9.17,;.69,8.77,;.29,7.28,;4.75,8.48,;5.84,7.39,;5.15,9.97,;6.24,8.88,)|
Show InChI InChI=1S/C28H25F4N7O3/c1-42-19-11-15(27(41)36-20-12-16(6-7-34-20)28(30,31)32)10-18(29)22(19)23-24-25(33)35-8-9-38(24)26(37-23)14-2-3-17-4-5-21(40)39(17)13-14/h6-12,14,17H,2-5,13H2,1H3,(H2,33,35)(H,34,36,41)/t14-,17+/m1/s1
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n/an/a 0.280n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255397
PNG
(US9481682, 148)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C32H33N7O3/c33-30-29-28(37-31(38(29)14-13-35-30)21-3-5-22-6-10-27(40)39(22)17-21)24-9-4-20(15-25(24)42-23-7-8-23)32(41)36-26-16-19(11-12-34-26)18-1-2-18/h4,9,11-16,18,21-23H,1-3,5-8,10,17H2,(H2,33,35)(H,34,36,41)/t21-,22+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255398
PNG
(US9481682, 149)
Show SMILES Cn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)c(OC3CNC3)c2)cc1C(F)(F)F |r|
Show InChI InChI=1S/C29H30F3N9O3/c1-39-21(29(30,31)32)11-22(38-39)36-28(43)15-3-6-19(20(10-15)44-18-12-34-13-18)24-25-26(33)35-8-9-40(25)27(37-24)16-2-4-17-5-7-23(42)41(17)14-16/h3,6,8-11,16-18,34H,2,4-5,7,12-14H2,1H3,(H2,33,35)(H,36,38,43)/t16-,17+/m1/s1
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n/an/a 96.7n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255410
PNG
(US9481682, 161)
Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(F)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27F4N7O3/c1-2-43-20-11-15(28(42)37-22-12-17(9-10-35-22)29(31,32)33)4-7-19(20)24-25-26(34)36-13-21(30)40(25)27(38-24)16-3-5-18-6-8-23(41)39(18)14-16/h4,7,9-13,16,18H,2-3,5-6,8,14H2,1H3,(H2,34,36)(H,35,37,42)/t16-,18+/m1/s1
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n/an/a 0.990n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255411
PNG
(US9481682, 162)
Show SMILES COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(F)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C28H25F4N7O3/c1-42-19-10-14(27(41)36-21-11-16(8-9-34-21)28(30,31)32)3-6-18(19)23-24-25(33)35-12-20(29)39(24)26(37-23)15-2-4-17-5-7-22(40)38(17)13-15/h3,6,8-12,15,17H,2,4-5,7,13H2,1H3,(H2,33,35)(H,34,36,41)/t15-,17+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255434
PNG
(US9481682, 185)
Show SMILES CCn1nc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N8O2/c1-2-38-19(27(28,29)30)13-20(35-38)33-26(40)16-5-3-15(4-6-16)22-23-24(31)32-11-12-36(23)25(34-22)17-7-8-18-9-10-21(39)37(18)14-17/h3-6,11-13,17-18H,2,7-10,14H2,1H3,(H2,31,32)(H,33,35,40)/t17-,18+/m1/s1
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n/an/a 237n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255455
PNG
(US9481682, 206)
Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(cnc(N)c12)C(F)(F)F)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C30H27F6N7O3/c1-2-46-20-11-15(28(45)40-22-12-17(9-10-38-22)29(31,32)33)4-7-19(20)24-25-26(37)39-13-21(30(34,35)36)43(25)27(41-24)16-3-5-18-6-8-23(44)42(18)14-16/h4,7,9-13,16,18H,2-3,5-6,8,14H2,1H3,(H2,37,39)(H,38,40,45)/t16-,18+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255461
PNG
(US9481682, 212)
Show SMILES Nc1ncc(n2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1)C(F)(F)F |r|
Show InChI InChI=1S/C30H27F4N7O2/c31-21-11-17(29(43)38-23-12-16(9-10-36-23)15-1-2-15)4-7-20(21)25-26-27(35)37-13-22(30(32,33)34)41(26)28(39-25)18-3-5-19-6-8-24(42)40(19)14-18/h4,7,9-13,15,18-19H,1-3,5-6,8,14H2,(H2,35,37)(H,36,38,43)/t18-,19+/m1/s1
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n/an/a 3.80n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255255
PNG
(US9481682, 3)
Show SMILES CN1C[C@@H]2CC[C@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H25F3N8O2/c1-36-14-19-7-6-17(13-38(19)26(36)40)24-35-21(22-23(31)33-10-11-37(22)24)15-2-4-16(5-3-15)25(39)34-20-12-18(8-9-32-20)27(28,29)30/h2-5,8-12,17,19H,6-7,13-14H2,1H3,(H2,31,33)(H,32,34,39)/t17-,19+/m1/s1
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n/an/a 7.20n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255259
PNG
(US9481682, 7)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CCC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C30H31N7O2/c31-28-27-26(35-29(36(27)15-14-33-28)22-8-9-23-10-11-25(38)37(23)17-22)19-4-6-20(7-5-19)30(39)34-24-16-21(12-13-32-24)18-2-1-3-18/h4-7,12-16,18,22-23H,1-3,8-11,17H2,(H2,31,33)(H,32,34,39)/t22-,23+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255261
PNG
(US9481682, 9)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@H]1CC[C@@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C26H25N7O2/c27-24-23-22(16-4-6-17(7-5-16)26(35)30-20-3-1-2-12-28-20)31-25(32(23)14-13-29-24)18-8-9-19-10-11-21(34)33(19)15-18/h1-7,12-14,18-19H,8-11,15H2,(H2,27,29)(H,28,30,35)/t18-,19+/m0/s1
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n/an/a 194n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255266
PNG
(US9481682, 15)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C27H23FN8O2/c28-20-12-16(27(38)33-21-11-15(13-29)7-8-31-21)2-5-19(20)23-24-25(30)32-9-10-35(24)26(34-23)17-1-3-18-4-6-22(37)36(18)14-17/h2,5,7-12,17-18H,1,3-4,6,14H2,(H2,30,32)(H,31,33,38)/t17-,18+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255269
PNG
(US9481682, 18)
Show SMILES CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)c1 |r|
Show InChI InChI=1S/C28H29N7O2/c1-2-17-11-12-30-22(15-17)32-28(37)19-5-3-18(4-6-19)24-25-26(29)31-13-14-34(25)27(33-24)20-7-8-21-9-10-23(36)35(21)16-20/h3-6,11-15,20-21H,2,7-10,16H2,1H3,(H2,29,31)(H,30,32,37)/t20-,21+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255279
PNG
(US9481682, 28)
Show SMILES Cc1cc(ccc1C(=O)Nc1cc(ccn1)C1CC1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
Show InChI InChI=1S/C30H31N7O2/c1-17-14-20(5-8-23(17)30(39)34-24-15-19(10-11-32-24)18-2-3-18)26-27-28(31)33-12-13-36(27)29(35-26)21-4-6-22-7-9-25(38)37(22)16-21/h5,8,10-15,18,21-22H,2-4,6-7,9,16H2,1H3,(H2,31,33)(H,32,34,39)/t21-,22+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255282
PNG
(US9481682, 31)
Show SMILES C[C@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H23F4N7O3/c1-13-19-5-3-15(12-38(19)26(40)41-13)24-36-21(22-23(32)34-8-9-37(22)24)17-4-2-14(10-18(17)28)25(39)35-20-11-16(6-7-33-20)27(29,30)31/h2,4,6-11,13,15,19H,3,5,12H2,1H3,(H2,32,34)(H,33,35,39)/t13-,15-,19+/m1/s1
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n/an/a 0.0960n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255289
PNG
(US9481682, 38)
Show SMILES COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C1CC1 |r|
Show InChI InChI=1S/C30H31N7O3/c1-40-23-14-19(30(39)34-24-15-18(10-11-32-24)17-2-3-17)5-8-22(23)26-27-28(31)33-12-13-36(27)29(35-26)20-4-6-21-7-9-25(38)37(21)16-20/h5,8,10-15,17,20-21H,2-4,6-7,9,16H2,1H3,(H2,31,33)(H,32,34,39)/t20-,21+/m1/s1
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n/an/a 1.90n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255292
PNG
(US9481682, 41)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H]2CNCC(=O)N2C1 |r|
Show InChI InChI=1S/C27H25F3N8O2/c28-27(29,30)18-7-8-33-20(11-18)35-26(40)16-3-1-15(2-4-16)22-23-24(31)34-9-10-37(23)25(36-22)17-5-6-19-12-32-13-21(39)38(19)14-17/h1-4,7-11,17,19,32H,5-6,12-14H2,(H2,31,34)(H,33,35,40)/t17-,19+/m0/s1
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n/an/a 4n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255297
PNG
(US9481682, 46)
Show SMILES C[C@@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C29H29N7O3/c1-16-22-9-8-21(15-36(22)29(38)39-16)27-34-24(25-26(30)32-12-13-35(25)27)18-4-6-19(7-5-18)28(37)33-23-14-20(10-11-31-23)17-2-3-17/h4-7,10-14,16-17,21-22H,2-3,8-9,15H2,1H3,(H2,30,32)(H,31,33,37)/t16-,21+,22-/m0/s1
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n/an/a 0.530n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255315
PNG
(US9481682, 64)
Show SMILES C[C@H]1CC(=O)N2C[C@@H](CC[C@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C28H26F3N7O2/c1-15-12-22(39)38-14-18(6-7-20(15)38)26-36-23(24-25(32)34-10-11-37(24)26)16-2-4-17(5-3-16)27(40)35-21-13-19(8-9-33-21)28(29,30)31/h2-5,8-11,13,15,18,20H,6-7,12,14H2,1H3,(H2,32,34)(H,33,35,40)/t15-,18+,20+/m0/s1
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n/an/a 0.770n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255323
PNG
(US9481682, 72)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@@H]2CC(O)C(=O)N2C1 |r|
Show InChI InChI=1S/C27H24F3N7O3/c28-27(29,30)17-7-8-32-20(11-17)34-25(39)15-3-1-14(2-4-15)21-22-23(31)33-9-10-36(22)24(35-21)16-5-6-18-12-19(38)26(40)37(18)13-16/h1-4,7-11,16,18-19,38H,5-6,12-13H2,(H2,31,33)(H,32,34,39)/t16-,18-,19?/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255335
PNG
(US9481682, 85)
Show SMILES COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CN(CC(=O)N3C2)C(=O)c2ccncc2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C34H30F3N9O4/c1-50-25-14-20(32(48)42-26-15-22(8-11-40-26)34(35,36)37)3-5-24(25)28-29-30(38)41-12-13-45(29)31(43-28)21-2-4-23-17-44(18-27(47)46(23)16-21)33(49)19-6-9-39-10-7-19/h3,5-15,21,23H,2,4,16-18H2,1H3,(H2,38,41)(H,40,42,48)/t21-,23+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255350
PNG
(US9481682, 100)
Show SMILES COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C30H30F3N7O3/c1-29(2)14-19-6-4-17(15-40(19)28(29)42)26-38-23(24-25(34)36-10-11-39(24)26)20-7-5-16(12-21(20)43-3)27(41)37-22-13-18(8-9-35-22)30(31,32)33/h5,7-13,17,19H,4,6,14-15H2,1-3H3,(H2,34,36)(H,35,37,41)/t17-,19+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255354
PNG
(US9481682, 104)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(cnn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C26H23F3N8O2/c27-26(28,29)17-11-19(35-32-12-17)33-25(39)15-3-1-14(2-4-15)21-22-23(30)31-9-10-36(22)24(34-21)16-5-6-18-7-8-20(38)37(18)13-16/h1-4,9-12,16,18H,5-8,13H2,(H2,30,31)(H,33,35,39)/t16-,18+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255362
PNG
(US9481682, 112)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3Cl)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C27H23ClF3N7O2/c28-19-11-14(26(40)35-20-12-16(7-8-33-20)27(29,30)31)2-5-18(19)22-23-24(32)34-9-10-37(23)25(36-22)15-1-3-17-4-6-21(39)38(17)13-15/h2,5,7-12,15,17H,1,3-4,6,13H2,(H2,32,34)(H,33,35,40)/t15-,17+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255377
PNG
(US9481682, 128)
Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C29H27ClF3N7O3/c1-2-43-20-11-15(28(42)37-22-12-17(9-10-35-22)29(31,32)33)4-7-19(20)24-25-26(34)36-13-21(30)40(25)27(38-24)16-3-5-18-6-8-23(41)39(18)14-16/h4,7,9-13,16,18H,2-3,5-6,8,14H2,1H3,(H2,34,36)(H,35,37,42)/t16-,18+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255388
PNG
(US9481682, 139)
Show SMILES CC(C)Oc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C30H30F3N7O3/c1-16(2)43-22-13-17(29(42)37-23-14-19(9-10-35-23)30(31,32)33)4-7-21(22)25-26-27(34)36-11-12-39(26)28(38-25)18-3-5-20-6-8-24(41)40(20)15-18/h4,7,9-14,16,18,20H,3,5-6,8,15H2,1-2H3,(H2,34,36)(H,35,37,42)/t18-,20+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255391
PNG
(US9481682, 142)
Show SMILES CC(C)(C)COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C32H34F3N7O3/c1-31(2,3)17-45-23-14-18(30(44)39-24-15-20(10-11-37-24)32(33,34)35)5-8-22(23)26-27-28(36)38-12-13-41(27)29(40-26)19-4-6-21-7-9-25(43)42(21)16-19/h5,8,10-15,19,21H,4,6-7,9,16-17H2,1-3H3,(H2,36,38)(H,37,39,44)/t19-,21+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255394
PNG
(US9481682, 145)
Show SMILES Cn1nc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4c(Cl)cnc(N)c34)c(OC3CC3)c2)cc1C(F)(F)F |r|
Show InChI InChI=1S/C29H28ClF3N8O3/c1-39-20(29(31,32)33)11-22(38-39)36-28(43)14-3-8-18(19(10-14)44-17-6-7-17)24-25-26(34)35-12-21(30)41(25)27(37-24)15-2-4-16-5-9-23(42)40(16)13-15/h3,8,10-12,15-17H,2,4-7,9,13H2,1H3,(H2,34,35)(H,36,38,43)/t15-,16+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255401
PNG
(US9481682, 152)
Show SMILES CCOc1cc(C(=O)Nc2cc(n(C)n2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |r|
Show InChI InChI=1S/C28H28F4N8O3/c1-3-43-19-11-16(27(42)35-21-12-20(28(30,31)32)38(2)37-21)18(29)10-17(19)23-24-25(33)34-8-9-39(24)26(36-23)14-4-5-15-6-7-22(41)40(15)13-14/h8-12,14-15H,3-7,13H2,1-2H3,(H2,33,34)(H,35,37,42)/t14-,15+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255403
PNG
(US9481682, 154)
Show SMILES Cc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(Cl)cnc(N)c23)s1 |r|
Show InChI InChI=1S/C25H24ClN7O2S/c1-13-10-29-25(36-13)31-24(35)15-4-2-14(3-5-15)20-21-22(27)28-11-18(26)33(21)23(30-20)16-6-7-17-8-9-19(34)32(17)12-16/h2-5,10-11,16-17H,6-9,12H2,1H3,(H2,27,28)(H,29,31,35)/t16-,17+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255407
PNG
(US9481682, 158)
Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1ncc(C)s1 |r|
Show InChI InChI=1S/C27H28ClN7O3S/c1-3-38-19-10-15(26(37)33-27-31-11-14(2)39-27)5-8-18(19)22-23-24(29)30-12-20(28)35(23)25(32-22)16-4-6-17-7-9-21(36)34(17)13-16/h5,8,10-12,16-17H,3-4,6-7,9,13H2,1-2H3,(H2,29,30)(H,31,33,37)/t16-,17+/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255424
PNG
(US9481682, 175)
Show SMILES Cc1cc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)nn1C |r|
Show InChI InChI=1S/C26H28N8O2/c1-15-13-20(31-32(15)2)29-26(36)17-5-3-16(4-6-17)22-23-24(27)28-11-12-33(23)25(30-22)18-7-8-19-9-10-21(35)34(19)14-18/h3-6,11-13,18-19H,7-10,14H2,1-2H3,(H2,27,28)(H,29,31,36)/t18-,19+/m1/s1
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.5n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM255435
PNG
(US9481682, 186)
Show SMILES Cc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F3N8O2/c1-14-11-15(26(40)33-20-12-19(27(28,29)30)36(2)35-20)4-7-18(14)22-23-24(31)32-9-10-37(23)25(34-22)16-3-5-17-6-8-21(39)38(17)13-16/h4,7,9-12,16-17H,3,5-6,8,13H2,1-2H3,(H2,31,32)(H,33,35,40)/t16-,17+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.90n/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 US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%