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Patent code US9446130

Compile Data Set for Download or QSAR
Found 25 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))		BDBM246392
PNG
(US9446130, 2)
Show SMILES Cn1ncc2c1CCC[C@@]2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H23F3N8O2/c1-37-19-3-2-9-26(40,18(19)14-34-37)25-36-21(22-23(31)33-11-12-38(22)25)15-4-6-16(7-5-15)24(39)35-20-13-17(8-10-32-20)27(28,29)30/h4-8,10-14,40H,2-3,9H2,1H3,(H2,31,33)(H,32,35,39)/t26-/m0/s1
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n/an/a 0.330n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246413
PNG
(US9446130, 16 | US9718828, Example, 562)
Show SMILES Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCc2nn(CCO)cc12 |r|
Show InChI InChI=1S/C27H24F3N9O2/c28-27(29,30)17-8-9-32-21(12-17)35-26(41)16-6-4-15(5-7-16)23-22-24(31)33-14-34-25(22)39(37-23)20-3-1-2-19-18(20)13-38(36-19)10-11-40/h4-9,12-14,20,40H,1-3,10-11H2,(H2,31,33,34)(H,32,35,41)/t20-/m1/s1
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n/an/a 0.450n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246395
PNG
(US9446130, 5 | US9718828, Example, 554)
Show SMILES Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCc2[nH]ncc12 |r|
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n/an/a 0.520n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246405
PNG
(US9446130, 21)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CCn2c(C1)nnc2C(F)(F)F |r|
Show InChI InChI=1S/C26H19F6N9O/c27-25(28,29)16-5-7-34-17(12-16)36-23(42)14-3-1-13(2-4-14)19-20-21(33)35-8-10-41(20)22(37-19)15-6-9-40-18(11-15)38-39-24(40)26(30,31)32/h1-5,7-8,10,12,15H,6,9,11H2,(H2,33,35)(H,34,36,42)/t15-/m0/s1
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n/an/a 0.810n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246401
PNG
(US9446130, 15 | US9718828, Example, 561)
Show SMILES Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCc2c1cnn2CCO |r|
Show InChI InChI=1S/C27H24F3N9O2/c28-27(29,30)17-8-9-32-21(12-17)36-26(41)16-6-4-15(5-7-16)23-22-24(31)33-14-34-25(22)39(37-23)20-3-1-2-19-18(20)13-35-38(19)10-11-40/h4-9,12-14,20,40H,1-3,10-11H2,(H2,31,33,34)(H,32,36,41)/t20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246414
PNG
(US9446130, 18 | US9718828, Example, 564)
Show SMILES Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CCCc2nn(CCO)cc12 |r|
Show InChI InChI=1S/C27H24F3N9O2/c28-27(29,30)17-8-9-32-21(12-17)35-26(41)16-6-4-15(5-7-16)23-22-24(31)33-14-34-25(22)39(37-23)20-3-1-2-19-18(20)13-38(36-19)10-11-40/h4-9,12-14,20,40H,1-3,10-11H2,(H2,31,33,34)(H,32,35,41)/t20-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246408
PNG
(US9446130, 3)
Show SMILES Cn1ncc2c1CCC[C@]2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H23F3N8O2/c1-37-19-3-2-9-26(40,18(19)14-34-37)25-36-21(22-23(31)33-11-12-38(22)25)15-4-6-16(7-5-15)24(39)35-20-13-17(8-10-32-20)27(28,29)30/h4-8,10-14,40H,2-3,9H2,1H3,(H2,31,33)(H,32,35,39)/t26-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246402
PNG
(US9446130, 17 | US9718828, Example, 563)
Show SMILES Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CCCc2c1cnn2CCO |r|
Show InChI InChI=1S/C27H24F3N9O2/c28-27(29,30)17-8-9-32-21(12-17)36-26(41)16-6-4-15(5-7-16)23-22-24(31)33-14-34-25(22)39(37-23)20-3-1-2-19-18(20)13-35-38(19)10-11-40/h4-9,12-14,20,40H,1-3,10-11H2,(H2,31,33,34)(H,32,36,41)/t20-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246398
PNG
(US9446130, 9 | US9718828, Example, 553)
Show SMILES Cn1ncc2[C@H](CCCc12)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H22F3N9O/c1-37-18-3-2-4-19(17(18)12-34-37)38-24-21(23(30)32-13-33-24)22(36-38)14-5-7-15(8-6-14)25(39)35-20-11-16(9-10-31-20)26(27,28)29/h5-13,19H,2-4H2,1H3,(H2,30,32,33)(H,31,35,39)/t19-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246409
PNG
(US9446130, 8 | US9718828, Example, 557)
Show SMILES Cn1cc2[C@@H](CCCc2n1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H22F3N9O/c1-37-12-17-18(35-37)3-2-4-19(17)38-24-21(23(30)32-13-33-24)22(36-38)14-5-7-15(8-6-14)25(39)34-20-11-16(9-10-31-20)26(27,28)29/h5-13,19H,2-4H2,1H3,(H2,30,32,33)(H,31,34,39)/t19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246399
PNG
(US9446130, 11 | US9718828, Example, 559)
Show SMILES CCn1ncc2[C@@H](CCCc12)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H24F3N9O/c1-2-38-19-4-3-5-20(18(19)13-35-38)39-25-22(24(31)33-14-34-25)23(37-39)15-6-8-16(9-7-15)26(40)36-21-12-17(10-11-32-21)27(28,29)30/h6-14,20H,2-5H2,1H3,(H2,31,33,34)(H,32,36,40)/t20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246400
PNG
(US9446130, 13)
Show SMILES CCn1ncc2[C@H](CCCc12)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H24F3N9O/c1-2-38-19-4-3-5-20(18(19)13-35-38)39-25-22(24(31)33-14-34-25)23(37-39)15-6-8-16(9-7-15)26(40)36-21-12-17(10-11-32-21)27(28,29)30/h6-14,20H,2-5H2,1H3,(H2,31,33,34)(H,32,36,40)/t20-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246397
PNG
(US9446130, 7 | US9718828, Example, 552)
Show SMILES Cn1ncc2[C@@H](CCCc12)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H22F3N9O/c1-37-18-3-2-4-19(17(18)12-34-37)38-24-21(23(30)32-13-33-24)22(36-38)14-5-7-15(8-6-14)25(39)35-20-11-16(9-10-31-20)26(27,28)29/h5-13,19H,2-4H2,1H3,(H2,30,32,33)(H,31,35,39)/t19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246393
PNG
(US9446130, 1)
Show SMILES Cn1ncc2c1CCCC2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C27H23F3N8O2/c1-37-19-3-2-9-26(40,18(19)14-34-37)25-36-21(22-23(31)33-11-12-38(22)25)15-4-6-16(7-5-15)24(39)35-20-13-17(8-10-32-20)27(28,29)30/h4-8,10-14,40H,2-3,9H2,1H3,(H2,31,33)(H,32,35,39)
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n/an/a 7.20n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Method A: BTK enzymatic activity was determined in an IMAP-FP assay (Immobilized Metal ion Affinity-based fluorescence Polarization; Molecular ...

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246415
PNG
(US9446130, 22)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCn2c(C1)nnc2C(F)(F)F |r|
Show InChI InChI=1S/C26H19F6N9O/c27-25(28,29)16-5-7-34-17(12-16)36-23(42)14-3-1-13(2-4-14)19-20-21(33)35-8-10-41(20)22(37-19)15-6-9-40-18(11-15)38-39-24(40)26(30,31)32/h1-5,7-8,10,12,15H,6,9,11H2,(H2,33,35)(H,34,36,42)/t15-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246394
PNG
(US9446130, 4)
Show SMILES CCn1ncc2c1CCCC2(O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C28H25F3N8O2/c1-2-39-20-4-3-10-27(41,19(20)15-35-39)26-37-22(23-24(32)34-12-13-38(23)26)16-5-7-17(8-6-16)25(40)36-21-14-18(9-11-33-21)28(29,30)31/h5-9,11-15,41H,2-4,10H2,1H3,(H2,32,34)(H,33,36,40)
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n/an/a 12.0n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay Method A: BTK enzymatic activity was determined in an IMAP-FP assay (Immobilized Metal ion Affinity-based fluorescence Polarization; Molecular ...

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246411
PNG
(US9446130, 12)
Show SMILES CCn1cc2[C@@H](CCCc2n1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H24F3N9O/c1-2-38-13-18-19(36-38)4-3-5-20(18)39-25-22(24(31)33-14-34-25)23(37-39)15-6-8-16(9-7-15)26(40)35-21-12-17(10-11-32-21)27(28,29)30/h6-14,20H,2-5H2,1H3,(H2,31,33,34)(H,32,35,40)/t20-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246407
PNG
(US9446130, 25)
Show SMILES CC(C)Oc1ccnc(NC(=O)c2ccc(cc2)-c2nc(N3CCn4c(C3)nnc4C(F)(F)F)n3ccnc(N)c23)c1
Show InChI InChI=1S/C27H25F3N10O2/c1-15(2)42-18-7-8-32-19(13-18)34-24(41)17-5-3-16(4-6-17)21-22-23(31)33-9-10-40(22)26(35-21)38-11-12-39-20(14-38)36-37-25(39)27(28,29)30/h3-10,13,15H,11-12,14H2,1-2H3,(H2,31,33)(H,32,34,41)
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n/an/a 43n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246412
PNG
(US9446130, 14 | US9718828, Example, 560)
Show SMILES CCn1cc2[C@H](CCCc2n1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H24F3N9O/c1-2-38-13-18-19(36-38)4-3-5-20(18)39-25-22(24(31)33-14-34-25)23(37-39)15-6-8-16(9-7-15)26(40)35-21-12-17(10-11-32-21)27(28,29)30/h6-14,20H,2-5H2,1H3,(H2,31,33,34)(H,32,35,40)/t20-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246404
PNG
(US9446130, 20)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CCCn2c(nnc12)C1CC1 |r|
Show InChI InChI=1S/C28H24F3N9O/c29-28(30,31)18-9-10-33-20(14-18)35-27(41)17-7-3-15(4-8-17)21-22-23(32)34-11-13-39(22)25(36-21)19-2-1-12-40-24(16-5-6-16)37-38-26(19)40/h3-4,7-11,13-14,16,19H,1-2,5-6,12H2,(H2,32,34)(H,33,35,41)/t19-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246396
PNG
(US9446130, 6 | US9718828, Example, 555)
Show SMILES Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CCCc2[nH]ncc12 |r|
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n/an/a 60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246403
PNG
(US9446130, 19)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCn2c(nnc12)C1CC1 |r|
Show InChI InChI=1S/C28H24F3N9O/c29-28(30,31)18-9-10-33-20(14-18)35-27(41)17-7-3-15(4-8-17)21-22-23(32)34-11-13-39(22)25(36-21)19-2-1-12-40-24(16-5-6-16)37-38-26(19)40/h3-4,7-11,13-14,16,19H,1-2,5-6,12H2,(H2,32,34)(H,33,35,41)/t19-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246410
PNG
(US9446130, 10 | US9718828, Example, 558)
Show SMILES Cn1cc2[C@H](CCCc2n1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H22F3N9O/c1-37-12-17-18(35-37)3-2-4-19(17)38-24-21(23(30)32-13-33-24)22(36-38)14-5-7-15(8-6-14)25(39)34-20-11-16(9-10-31-20)26(27,28)29/h5-13,19H,2-4H2,1H3,(H2,30,32,33)(H,31,34,39)/t19-/m0/s1
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n/an/a 83n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246416
PNG
(US9446130, 24)
Show SMILES Cn1ncc2[C@H](CCCc12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H23F3N8O/c1-37-20-4-2-3-18(19(20)14-34-37)25-36-22(23-24(31)33-11-12-38(23)25)15-5-7-16(8-6-15)26(39)35-21-13-17(9-10-32-21)27(28,29)30/h5-14,18H,2-4H2,1H3,(H2,31,33)(H,32,35,39)/t18-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM246406
PNG
(US9446130, 23)
Show SMILES Cn1ncc2[C@@H](CCCc12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H23F3N8O/c1-37-20-4-2-3-18(19(20)14-34-37)25-36-22(23-24(31)33-11-12-38(23)25)15-5-7-16(8-6-15)26(39)35-21-13-17(9-10-32-21)27(28,29)30/h5-14,18H,2-4H2,1H3,(H2,31,33)(H,32,35,39)/t18-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9446130 (2016)


BindingDB Entry DOI: 10.7270/Q22806H6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%