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Compile Data Set for Download or QSAR

Found 651 hits with Last Name = 'hopkins' and Initial = 'bt'   
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))
BDBM368496
PNG
(US10227341, Compound 14b)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C28H33N9O3/c1-28(2,3)26-35-34-25(40-26)24(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)/t23-/s2
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n/an/a<1n/an/an/an/an/an/a



BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM368497
PNG
((S)-1-(tert-butyl)-N-(8-(2-((1-ethyl-1H-pyrazol-4-...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1/C29H36N10O2/c1-5-38-15-21(13-31-38)32-28-30-10-8-24(34-28)19-6-7-23-20(12-19)14-37(22-17-41-18-22)11-9-25(23)33-27(40)26-16-39(36-35-26)29(2,3)4/h6-8,10,12-13,15-16,22,25H,5,9,11,14,17-18H2,1-4H3,(H,33,40)(H,30,32,34)/t25-/s2
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n/an/a<1n/an/an/an/an/an/a



BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM324389
PNG
((S)-5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C26H30N8O2/c1-26(2,3)24-33-32-23(36-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)/t21-/s2
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n/an/a<1n/an/an/an/an/an/a



BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM324390
PNG
((S)-5-(tert-butyl)-N-(2- ethyl-8-(2-((1-methyl- 1H...)
Show SMILES CCN1CC[C@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1/C27H33N9O2/c1-6-36-12-10-22(31-23(37)24-33-34-25(38-24)27(2,3)4)20-8-7-17(13-18(20)15-36)21-9-11-28-26(32-21)30-19-14-29-35(5)16-19/h7-9,11,13-14,16,22H,6,10,12,15H2,1-5H3,(H,31,37)(H,28,30,32)/t22-/s2
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n/an/a<1n/an/an/an/an/an/a



BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM324391
PNG
((S)-5-(tert-butyl)-N-(2- (2-hydroxy-2- methylpropy...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(CC(C)(C)O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C29H37N9O3/c1-28(2,3)26-36-35-25(41-26)24(39)33-23-10-12-38(17-29(4,5)40)15-19-13-18(7-8-21(19)23)22-9-11-30-27(34-22)32-20-14-31-37(6)16-20/h7-9,11,13-14,16,23,40H,10,12,15,17H2,1-6H3,(H,33,39)(H,30,32,34)/t23-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM324392
PNG
(1-(tert-butyl)-N-((S)-8- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(40)33-25-8-11-38(22-9-12-41-18-22)15-20-13-19(5-6-23(20)25)24-7-10-30-28(34-24)32-21-14-31-37(4)16-21/h5-7,10,13-14,16-17,22,25H,8-9,11-12,15,18H2,1-4H3,(H,33,40)(H,30,32,34)/t22-,25-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM324393
PNG
(1-(tert-butyl)-N-((S)-8- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(40)33-25-8-11-38(22-9-12-41-18-22)15-20-13-19(5-6-23(20)25)24-7-10-30-28(34-24)32-21-14-31-37(4)16-21/h5-7,10,13-14,16-17,22,25H,8-9,11-12,15,18H2,1-4H3,(H,33,40)(H,30,32,34)/t22-,25+/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM324394
PNG
(5-(tert-butyl)-N-(3- methyl-7-(2-((1-methyl- 1H-py...)
Show SMILES CN1CCc2cc(ccc2C(C1)NC(=O)c1nnc(o1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1/C26H31N9O2/c1-26(2,3)24-33-32-23(37-24)22(36)30-21-15-34(4)11-9-16-12-17(6-7-19(16)21)20-8-10-27-25(31-20)29-18-13-28-35(5)14-18/h6-8,10,12-14,21H,9,11,15H2,1-5H3,(H,30,36)(H,27,29,31)
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM324387
PNG
((S)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1/C28H33N9O3/c1-28(2,3)26-34-24(35-40-26)25(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)/t23-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM324396
PNG
((S)-5-(tert-butyl)-N-(2- (3-hydroxy- cyclobutyl)-8...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34)/t20?,21?,24-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM324397
PNG
(5-(tert-butyl)-N-((S)- 2-((S)-2-hydroxy- propyl)-8...)
Show SMILES C[C@H](O)CN1CC[C@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1/C28H35N9O3/c1-17(38)14-37-11-9-23(32-24(39)25-34-35-26(40-25)28(2,3)4)21-7-6-18(12-19(21)15-37)22-8-10-29-27(33-22)31-20-13-30-36(5)16-20/h6-8,10,12-13,16-17,23,38H,9,11,14-15H2,1-5H3,(H,32,39)(H,29,31,33)/t17-,23-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM324398
PNG
((S)-5-(tert-butyl)-N-(8- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1/C27H30F3N9O2/c1-26(2,3)24-36-22(37-41-24)23(40)34-21-8-10-39(15-27(28,29)30)13-17-11-16(5-6-19(17)21)20-7-9-31-25(35-20)33-18-12-32-38(4)14-18/h5-7,9,11-12,14,21H,8,10,13,15H2,1-4H3,(H,34,40)(H,31,33,35)/t21-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM324399
PNG
(5-(tert-butyl)-N-((S)-8- (2-((1-ethyl-1H-pyrazol- ...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)/t22-,25+/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM324400
PNG
(5-(tert-butyl)-N-((S)-8- (2-((1-ethyl-1H-pyrazol- ...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)/t22-,25-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM368510
PNG
((S)-5-(tert-butyl)-N-(7- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CN(CCc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C28H33N9O3/c1-28(2,3)26-35-34-25(40-26)24(38)32-23-14-37(20-15-39-16-20)10-8-17-11-18(5-6-21(17)23)22-7-9-29-27(33-22)31-19-12-30-36(4)13-19/h5-7,9,11-13,20,23H,8,10,14-16H2,1-4H3,(H,32,38)(H,29,31,33)/t23-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10227341 (2019)

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


(Homo sapiens (Human))
BDBM324321
PNG
(5-(tert-butyl)-N-(2-((R)- 2-hydroxypropyl)-8-(2- (...)
Show SMILES C[C@@H](O)CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1/C28H35N9O3/c1-17(38)14-37-11-9-23(32-24(39)25-34-35-26(40-25)28(2,3)4)21-7-6-18(12-19(21)15-37)22-8-10-29-27(33-22)31-20-13-30-36(5)16-20/h6-8,10,12-13,16-17,23,38H,9,11,14-15H2,1-5H3,(H,32,39)(H,29,31,33)/t17-,23?/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324322
PNG
(5-(tert-butyl)-N-(2-(2- hydroxy-2- methylpropyl)-8...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(C)(C)O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C29H37N9O3/c1-28(2,3)26-36-35-25(41-26)24(39)33-23-10-12-38(17-29(4,5)40)15-19-13-18(7-8-21(19)23)22-9-11-30-27(34-22)32-20-14-31-37(6)16-20/h7-9,11,13-14,16,23,40H,10,12,15,17H2,1-6H3,(H,33,39)(H,30,32,34)
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324323
PNG
(5-tert-butyl-1,3,4- oxadiazole-2-carboxylic acid {...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(C)(C)O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C29H37N9O3/c1-28(2,3)26-36-35-25(41-26)24(39)33-23-10-12-38(17-29(4,5)40)15-19-13-18(7-8-21(19)23)22-9-11-30-27(34-22)32-20-14-31-37(6)16-20/h7-9,11,13-14,16,23,40H,10,12,15,17H2,1-6H3,(H,33,39)(H,30,32,34)/t23-/s2
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n/an/a<1n/an/an/an/an/an/a



BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324324
PNG
(5-(tert-butyl)-N-(2-(3- hydroxypropyl)- 8-(2-((1- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C28H35N9O3/c1-28(2,3)26-35-34-25(40-26)24(39)32-23-9-12-37(11-5-13-38)16-19-14-18(6-7-21(19)23)22-8-10-29-27(33-22)31-20-15-30-36(4)17-20/h6-8,10,14-15,17,23,38H,5,9,11-13,16H2,1-4H3,(H,32,39)(H,29,31,33)
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n/an/a<1n/an/an/an/an/an/a



BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324325
PNG
(5-(tert-butyl)-N- (8-(2-((1- methyl-1H-pyrazol-4- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(F)(F)F)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C27H30F3N9O2/c1-26(2,3)24-37-36-23(41-24)22(40)34-21-8-10-39(15-27(28,29)30)13-17-11-16(5-6-19(17)21)20-7-9-31-25(35-20)33-18-12-32-38(4)14-18/h5-7,9,11-12,14,21H,8,10,13,15H2,1-4H3,(H,34,40)(H,31,33,35)
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n/an/a<1n/an/an/an/an/an/a



BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324326
PNG
(N-(8-(2-((1H-pyrazol-4- yl)amino)pyrimidin-4- yl)-...)
Show SMILES CC(C)(C)c1nnc(o1)C(=O)NC1CCN(Cc2cc(ccc12)-c1ccnc(Nc2cn[nH]c2)n1)C1COC1
Show InChI InChI=1/C27H31N9O3/c1-27(2,3)25-35-34-24(39-25)23(37)32-22-7-9-36(19-14-38-15-19)13-17-10-16(4-5-20(17)22)21-6-8-28-26(33-21)31-18-11-29-30-12-18/h4-6,8,10-12,19,22H,7,9,13-15H2,1-3H3,(H,29,30)(H,32,37)(H,28,31,33)
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324327
PNG
((R)-5-(tert-butyl)-N-(8- (2-((5,6-dihydro-4H- pyrr...)
Show SMILES CC(C)(C)c1nnc(o1)C(=O)N[C@@H]1CCN(CCO)Cc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1
Show InChI InChI=1/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(40)32-22-9-12-37(13-14-39)17-19-15-18(6-7-20(19)22)21-8-10-30-28(33-21)34-23-16-31-38-11-4-5-24(23)38/h6-8,10,15-16,22,39H,4-5,9,11-14,17H2,1-3H3,(H,32,40)(H,30,33,34)/t22-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324328
PNG
(5-(tert-butyl)-N-(8- (2-((1- ethyl-1H-pyrazol-4- y...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324329
PNG
(5-(tert-butyl)-N-((R)-8- (2-((1-ethyl-1H-pyrazol- ...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)/t22-,25-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324330
PNG
(5-(tert-butyl)-N-(8- (2-((1- ethyl-1H-pyrazol-4- y...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C28H35N9O3/c1-5-37-17-20(15-30-37)31-27-29-10-8-22(33-27)18-6-7-21-19(14-18)16-36(12-13-38)11-9-23(21)32-24(39)25-34-35-26(40-25)28(2,3)4/h6-8,10,14-15,17,23,38H,5,9,11-13,16H2,1-4H3,(H,32,39)(H,29,31,33)
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324331
PNG
(5-(tert-butyl)-N-(2- methyl-8-(2-((1-methyl- 1H-py...)
Show SMILES CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1/C26H31N9O2/c1-26(2,3)24-33-32-23(37-24)22(36)30-21-9-11-34(4)14-17-12-16(6-7-19(17)21)20-8-10-27-25(31-20)29-18-13-28-35(5)15-18/h6-8,10,12-13,15,21H,9,11,14H2,1-5H3,(H,30,36)(H,27,29,31)
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324332
PNG
((R)-1-(tert-butyl)- N-(8- (2-((1,5-dimethyl-1H- py...)
Show SMILES Cc1c(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cnn1C
Show InChI InChI=1/C28H36N10O2/c1-18-24(15-30-36(18)5)33-27-29-10-8-22(32-27)19-6-7-21-20(14-19)16-37(12-13-39)11-9-23(21)31-26(40)25-17-38(35-34-25)28(2,3)4/h6-8,10,14-15,17,23,39H,9,11-13,16H2,1-5H3,(H,31,40)(H,29,32,33)/t23-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324333
PNG
((R)-5-(tert-butyl)-N-(8- (2-((1,3-dimethyl-1H- pyr...)
Show SMILES Cc1nn(C)cc1Nc1nccc(n1)-c1ccc2[C@@H](CCN(Cc2c1)C1COC1)NC(=O)c1noc(n1)C(C)(C)C
Show InChI InChI=1/C29H35N9O3/c1-17-24(14-37(5)35-17)33-28-30-10-8-22(32-28)18-6-7-21-19(12-18)13-38(20-15-40-16-20)11-9-23(21)31-26(39)25-34-27(41-36-25)29(2,3)4/h6-8,10,12,14,20,23H,9,11,13,15-16H2,1-5H3,(H,31,39)(H,30,32,33)/t23-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324334
PNG
((R)-1-(tert-butyl)-N-(2- (2-hydroxyethyl)-8-(2- ((...)
Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1/C29H38N10O2/c1-19(2)38-17-22(15-31-38)32-28-30-10-8-24(34-28)20-6-7-23-21(14-20)16-37(12-13-40)11-9-25(23)33-27(41)26-18-39(36-35-26)29(3,4)5/h6-8,10,14-15,17-19,25,40H,9,11-13,16H2,1-5H3,(H,33,41)(H,30,32,34)/t25-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324335
PNG
(5-(tert-butyl)-N-((R)-2- ((R)-2-hydroxy- propyl)-8...)
Show SMILES C[C@@H](O)CN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1/C28H35N9O3/c1-17(38)14-37-11-9-23(32-24(39)25-34-35-26(40-25)28(2,3)4)21-7-6-18(12-19(21)15-37)22-8-10-29-27(33-22)31-20-13-30-36(5)16-20/h6-8,10,12-13,16-17,23,38H,9,11,14-15H2,1-5H3,(H,32,39)(H,29,31,33)/t17-,23-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324336
PNG
((R)-5-(tert-butyl)-N-(2- (cyclopropylmethyl)-8- (2...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC4CC4)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C29H35N9O2/c1-29(2,3)27-36-35-26(40-27)25(39)33-24-10-12-38(15-18-5-6-18)16-20-13-19(7-8-22(20)24)23-9-11-30-28(34-23)32-21-14-31-37(4)17-21/h7-9,11,13-14,17-18,24H,5-6,10,12,15-16H2,1-4H3,(H,33,39)(H,30,32,34)/t24-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324337
PNG
(5-(tert-butyl)-N-(2- (2-((1- methyl-1H-pyrazol-4- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C26H30N8O2/c1-26(2,3)24-33-32-23(36-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324338
PNG
(N-(2-(2-((1H-pyrazol-4- yl)amino)pyrimidin-4- yl)-...)
Show SMILES CC(C)(C)c1nc(no1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cn[nH]c2)n1
Show InChI InChI=1/C25H28N8O2/c1-25(2,3)23-32-21(33-35-23)22(34)30-20-7-5-4-6-15-12-16(8-9-18(15)20)19-10-11-26-24(31-19)29-17-13-27-28-14-17/h8-14,20H,4-7H2,1-3H3,(H,27,28)(H,30,34)(H,26,29,31)
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324339
PNG
(N-(2-(2-((1H-pyrazol-4- yl)amino)pyrimidin-4- yl)-...)
Show SMILES CC(C)(C)c1nnc(o1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cn[nH]c2)n1
Show InChI InChI=1/C25H28N8O2/c1-25(2,3)23-33-32-22(35-23)21(34)30-20-7-5-4-6-15-12-16(8-9-18(15)20)19-10-11-26-24(31-19)29-17-13-27-28-14-17/h8-14,20H,4-7H2,1-3H3,(H,27,28)(H,30,34)(H,26,29,31)
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n/an/a<1n/an/an/an/an/an/a



BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324340
PNG
(2-isopropyl-N-(2-(2- ((1-methyl-1H-pyrazol-4- yl)a...)
Show SMILES CC(C)n1ncc(n1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1/C25H29N9O/c1-16(2)34-28-14-23(32-34)24(35)30-22-7-5-4-6-17-12-18(8-9-20(17)22)21-10-11-26-25(31-21)29-19-13-27-33(3)15-19/h8-16,22H,4-7H2,1-3H3,(H,30,35)(H,26,29,31)
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n/an/a<1n/an/an/an/an/an/a



BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324341
PNG
(N- ((5R,8S)-8-fluoro-2-(2- ((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CC[C@H](F)Cc3c2)NC(=O)c2noc(n2)C2(C)CC2)cn1
Show InChI InChI=1/C26H27FN8O2/c1-26(8-9-26)24-33-22(34-37-24)23(36)31-21-6-4-17(27)12-16-11-15(3-5-19(16)21)20-7-10-28-25(32-20)30-18-13-29-35(2)14-18/h3,5,7,10-11,13-14,17,21H,4,6,8-9,12H2,1-2H3,(H,31,36)(H,28,30,32)/t17-,21+/s2
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n/an/a<1n/an/an/an/an/an/a



BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324342
PNG
(5-(tert-butyl)-4-methyl- N-(2-(2-((1-methyl-1H- py...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nnc(n2C)C(C)(C)C)cn1
Show InChI InChI=1/C27H33N9O/c1-27(2,3)25-34-33-23(36(25)5)24(37)31-22-9-7-6-8-17-14-18(10-11-20(17)22)21-12-13-28-26(32-21)30-19-15-29-35(4)16-19/h10-16,22H,6-9H2,1-5H3,(H,31,37)(H,28,30,32)
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n/an/a<1n/an/an/an/an/an/a



BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324343
PNG
(1-(tert-butyl)-N-((5R)-8- (2-((1-methyl-1H- pyrazo...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(40)33-25-8-11-38(22-9-12-41-18-22)15-20-13-19(5-6-23(20)25)24-7-10-30-28(34-24)32-21-14-31-37(4)16-21/h5-7,10,13-14,16-17,22,25H,8-9,11-12,15,18H2,1-4H3,(H,33,40)(H,30,32,34)/t22?,25-/s2
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n/an/a<1n/an/an/an/an/an/a



BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324344
PNG
((R)-N-(2-(2-((1-methyl- 1H-pyrazol-4- yl)amino)pyr...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nnc(o2)C2(C)CC2)cn1
Show InChI InChI=1/C26H28N8O2/c1-26(10-11-26)24-33-32-23(36-24)22(35)30-21-6-4-3-5-16-13-17(7-8-19(16)21)20-9-12-27-25(31-20)29-18-14-28-34(2)15-18/h7-9,12-15,21H,3-6,10-11H2,1-2H3,(H,30,35)(H,27,29,31)/t21-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324345
PNG
(5-(tert-butyl)-N-((R)-8- (2-((1-ethyl-1H-pyrazol- ...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)/t22-,25+/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324346
PNG
(N-(2-(2-hydroxyethyl)-8- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C2(C)CC2)cn1
Show InChI InChI=1/C27H31N9O3/c1-27(7-8-27)25-34-33-24(39-25)23(38)31-22-6-10-36(11-12-37)15-18-13-17(3-4-20(18)22)21-5-9-28-26(32-21)30-19-14-29-35(2)16-19/h3-5,9,13-14,16,22,37H,6-8,10-12,15H2,1-2H3,(H,31,38)(H,28,30,32)
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324347
PNG
((R)-5-(tert-butyl)-N-(2- (2-ethoxyethyl)-8- (2-((1...)
Show SMILES CCOCCN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1/C29H37N9O3/c1-6-40-14-13-38-12-10-24(33-25(39)26-35-36-27(41-26)29(2,3)4)22-8-7-19(15-20(22)17-38)23-9-11-30-28(34-23)32-21-16-31-37(5)18-21/h7-9,11,15-16,18,24H,6,10,12-14,17H2,1-5H3,(H,33,39)(H,30,32,34)/t24-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324348
PNG
(5-(tert-butyl)-N-(2- (2-((1-methyl-1H- pyrazol-4- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nnc(s2)C(C)(C)C)cn1
Show InChI InChI=1/C26H30N8OS/c1-26(2,3)24-33-32-23(36-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324349
PNG
((R)-5-(tert-butyl)-N-(8- (2-((5,6-dihydro-4H- pyrr...)
Show SMILES CC(C)(C)c1nc(no1)C(=O)N[C@@H]1CCN(CCO)Cc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1
Show InChI InChI=1/C29H35N9O3/c1-29(2,3)27-35-25(36-41-27)26(40)32-22-9-12-37(13-14-39)17-19-15-18(6-7-20(19)22)21-8-10-30-28(33-21)34-23-16-31-38-11-4-5-24(23)38/h6-8,10,15-16,22,39H,4-5,9,11-14,17H2,1-3H3,(H,32,40)(H,30,33,34)/t22-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324350
PNG
(5-(tert-butyl)-N-(8- hydroxy-2-(2-((1-methyl- 1H-p...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCC(O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1/C26H30N8O3/c1-26(2,3)24-33-32-23(37-24)22(36)30-21-8-6-18(35)12-16-11-15(5-7-19(16)21)20-9-10-27-25(31-20)29-17-13-28-34(4)14-17/h5,7,9-11,13-14,18,21,35H,6,8,12H2,1-4H3,(H,30,36)(H,27,29,31)
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324351
PNG
((R)-5-(tert-butyl)-N-(2- (2-((5,6-dihydro-4H- pyrr...)
Show SMILES CC(C)(C)c1nc(no1)C(=O)N[C@@H]1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1
Show InChI InChI=1/C28H32N8O2/c1-28(2,3)26-34-24(35-38-26)25(37)31-21-8-5-4-7-17-15-18(10-11-19(17)21)20-12-13-29-27(32-20)33-22-16-30-36-14-6-9-23(22)36/h10-13,15-16,21H,4-9,14H2,1-3H3,(H,31,37)(H,29,32,33)/t21-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324352
PNG
((R)-5-(tert-butyl)-N-(2- (2-((1-methyl-5- (trifluo...)
Show SMILES Cn1ncc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)c1C(F)(F)F
Show InChI InChI=1/C27H29F3N8O2/c1-26(2,3)24-36-22(37-40-24)23(39)33-19-8-6-5-7-15-13-16(9-10-17(15)19)18-11-12-31-25(34-18)35-20-14-32-38(4)21(20)27(28,29)30/h9-14,19H,5-8H2,1-4H3,(H,33,39)(H,31,34,35)/t19-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324209
PNG
(5-(tert-butyl)-N-(7-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CNCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1/C25H29N9O2/c1-25(2,3)23-32-21(33-36-23)22(35)30-20-13-26-9-7-15-11-16(5-6-18(15)20)19-8-10-27-24(31-19)29-17-12-28-34(4)14-17/h5-6,8,10-12,14,20,26H,7,9,13H2,1-4H3,(H,30,35)(H,27,29,31)
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324234
PNG
((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1/C28H33N9O3/c1-28(2,3)26-34-24(35-40-26)25(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)/t23-/s2
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM324258
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)S(C)(=O)=O)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1/C26H31N9O4S/c1-26(2,3)24-32-22(33-39-24)23(36)30-21-9-11-35(40(5,37)38)14-17-12-16(6-7-19(17)21)20-8-10-27-25(31-20)29-18-13-28-34(4)15-18/h6-8,10,12-13,15,21H,9,11,14H2,1-5H3,(H,30,36)(H,27,29,31)
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BIOGEN MA INC.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US10189829 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q2V69MP8
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Ligand-Target Pair
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