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Compile Data Set for Download or QSAR

Found 146 hits Enz. Inhib. hit(s) with all data for entry = 9793   
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))		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=1S/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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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
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 |r|
Show InChI InChI=1S/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-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324236
PNG
(5-(tert-butyl)-N-(2-(2-hydroxyethyl)-8-(2-((1-meth...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C27H33N9O3/c1-27(2,3)25-33-23(34-39-25)24(38)31-22-8-10-36(11-12-37)15-18-13-17(5-6-20(18)22)21-7-9-28-26(32-21)30-19-14-29-35(4)16-19/h5-7,9,13-14,16,22,37H,8,10-12,15H2,1-4H3,(H,31,38)(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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
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=1S/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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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324261
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/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)
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324262
PNG
(5-(tert-butyl)-N-(2-(3-hydroxycyclobutyl)-8-(2-((1...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |(9.26,-11.9,;7.72,-11.9,;6.81,-13.15,;5.35,-12.67,;4.02,-13.44,;2.68,-12.67,;1.35,-13.44,;.01,-12.67,;.01,-11.13,;1.35,-10.36,;2.68,-11.13,;1.35,-8.82,;2.68,-8.05,;2.68,-6.51,;1.35,-5.74,;1.34,-4.22,;.43,-3.23,;-1.1,-3.35,;-1.87,-4.48,;-1.42,-5.95,;.01,-6.51,;.01,-8.05,;-3.4,-4.25,;-4.26,-2.97,;-5.53,-3.83,;-7.05,-3.53,;-4.67,-5.11,;2.67,-3.45,;4,-4.22,;4,-5.76,;5.34,-3.45,;5.34,-1.91,;6.8,-1.43,;7.71,-2.68,;6.8,-3.92,;9.19,-3.08,;9.59,-4.56,;8.42,-1.74,;9.96,-1.74,;5.35,-11.13,;6.81,-10.65,)|
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-35-25(36-41-27)26(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)
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324263
PNG
(5-(tert-butyl)-N-(8-(2-((1-ethyl-1H-pyrazol-4-yl)a...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C29H35N9O3/c1-5-38-15-20(13-31-38)32-28-30-10-8-23(34-28)18-6-7-22-19(12-18)14-37(21-16-40-17-21)11-9-24(22)33-26(39)25-35-27(41-36-25)29(2,3)4/h6-8,10,12-13,15,21,24H,5,9,11,14,16-17H2,1-4H3,(H,33,39)(H,30,32,34)
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324264
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOCC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C30H37N9O3/c1-30(2,3)28-36-26(37-42-28)27(40)34-25-8-12-39(22-9-13-41-14-10-22)17-20-15-19(5-6-23(20)25)24-7-11-31-29(35-24)33-21-16-32-38(4)18-21/h5-7,11,15-16,18,22,25H,8-10,12-14,17H2,1-4H3,(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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324265
PNG
((R)-5-(tert-butyl)-N-(8-(2-((1,5-dimethyl-1H-pyraz...)
Show SMILES Cc1c(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cnn1C |r|
Show InChI InChI=1S/C28H35N9O3/c1-17-23(15-30-36(17)5)33-27-29-10-8-21(32-27)18-6-7-20-19(14-18)16-37(12-13-38)11-9-22(20)31-25(39)24-34-26(40-35-24)28(2,3)4/h6-8,10,14-15,22,38H,9,11-13,16H2,1-5H3,(H,31,39)(H,29,32,33)/t22-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324266
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-35-25(36-41-27)26(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324267
PNG
((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/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-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324268
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOCC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C30H37N9O3/c1-30(2,3)28-37-36-27(42-28)26(40)34-25-8-12-39(22-9-13-41-14-10-22)17-20-15-19(5-6-23(20)25)24-7-11-31-29(35-24)33-21-16-32-38(4)18-21/h5-7,11,15-16,18,22,25H,8-10,12-14,17H2,1-4H3,(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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324269
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/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)
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM368378
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)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/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-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324271
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)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C26H31N9O4S/c1-26(2,3)24-33-32-23(39-24)22(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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324272
PNG
((R)-5-(tert-butyl)-N-(2-(2-hydroxyethyl)-8-(2-((1-...)
Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H37N9O3/c1-18(2)38-17-21(15-31-38)32-28-30-10-8-23(34-28)19-6-7-22-20(14-19)16-37(12-13-39)11-9-24(22)33-25(40)26-35-36-27(41-26)29(3,4)5/h6-8,10,14-15,17-18,24,39H,9,11-13,16H2,1-5H3,(H,33,40)(H,30,32,34)/t24-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324273
PNG
((R)-5-(tert-butyl)-N-(8-(2-((1-isopropyl-1H-pyrazo...)
Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C30H37N9O3/c1-18(2)39-15-21(13-32-39)33-29-31-10-8-24(35-29)19-6-7-23-20(12-19)14-38(22-16-41-17-22)11-9-25(23)34-26(40)27-36-37-28(42-27)30(3,4)5/h6-8,10,12-13,15,18,22,25H,9,11,14,16-17H2,1-5H3,(H,34,40)(H,31,33,35)/t25-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324274
PNG
((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/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)/t21-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324275
PNG
(5-(tert-butyl)-N-(2-(2-hydroxyethyl)-8-(2-((1-meth...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C27H33N9O3/c1-27(2,3)25-34-33-24(39-25)23(38)31-22-8-10-36(11-12-37)15-18-13-17(5-6-20(18)22)21-7-9-28-26(32-21)30-19-14-29-35(4)16-19/h5-7,9,13-14,16,22,37H,8,10-12,15H2,1-4H3,(H,31,38)(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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324276
PNG
(5-(tert-butyl)-N—((R)-8-(2-((1-methyl-1H-pyra...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(H,33,39)(H,30,32,34)/t21-,24-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324277
PNG
(5-(tert-butyl)-N—((R)-2-((S)-2-hydroxypropyl)...)
Show SMILES C[C@H](O)CN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/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+/m0/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324278
PNG
(5-(tert-butyl)-N—((R)-8-(2-((1-methyl-1H-pyra...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(H,33,39)(H,30,32,34)/t21-,24+/m0/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324279
PNG
(1-(tert-butyl)-N-(8-(2-((1-ethyl-1H-pyrazol-4-yl)a...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1S/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)
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM368388
PNG
((R)-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 |r|
Show InChI InChI=1S/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-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324281
PNG
((R)-1-(tert-butyl)-N-(8-(2-((1-isopropyl-1H-pyrazo...)
Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C30H38N10O2/c1-19(2)39-15-22(13-32-39)33-29-31-10-8-25(35-29)20-6-7-24-21(12-20)14-38(23-17-42-18-23)11-9-26(24)34-28(41)27-16-40(37-36-27)30(3,4)5/h6-8,10,12-13,15-16,19,23,26H,9,11,14,17-18H2,1-5H3,(H,34,41)(H,31,33,35)/t26-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324282
PNG
(1-(tert-butyl)-N¿((R)-8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/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-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324283
PNG
(1-(tert-butyl)-N—((R)-8-(2-((1-methyl-1H-pyra...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/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+/m0/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324284
PNG
((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324285
PNG
((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C27H31F3N10O/c1-26(2,3)40-15-23(36-37-40)24(41)34-22-8-10-39(16-27(28,29)30)13-18-11-17(5-6-20(18)22)21-7-9-31-25(35-21)33-19-12-32-38(4)14-19/h5-7,9,11-12,14-15,22H,8,10,13,16H2,1-4H3,(H,34,41)(H,31,33,35)/t22-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324286
PNG
(1-(tert-butyl)-N—((R)-2-((R)-2-hydroxypropyl)...)
Show SMILES C[C@@H](O)CN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H36N10O2/c1-18(39)14-37-11-9-24(32-26(40)25-17-38(35-34-25)28(2,3)4)22-7-6-19(12-20(22)15-37)23-8-10-29-27(33-23)31-21-13-30-36(5)16-21/h6-8,10,12-13,16-18,24,39H,9,11,14-15H2,1-5H3,(H,32,40)(H,29,31,33)/t18-,24-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324287
PNG
(1-(tert-butyl)-N—((R)-2-((S)-2-hydroxypropyl)...)
Show SMILES C[C@H](O)CN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H36N10O2/c1-18(39)14-37-11-9-24(32-26(40)25-17-38(35-34-25)28(2,3)4)22-7-6-19(12-20(22)15-37)23-8-10-29-27(33-23)31-21-13-30-36(5)16-21/h6-8,10,12-13,16-18,24,39H,9,11,14-15H2,1-5H3,(H,32,40)(H,29,31,33)/t18-,24+/m0/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324288
PNG
((R)-1-(tert-butyl)-N-(2-(2-methoxyethyl)-8-(2-((1-...)
Show SMILES COCCN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H36N10O2/c1-28(2,3)38-18-25(34-35-38)26(39)32-24-9-11-37(12-13-40-5)16-20-14-19(6-7-22(20)24)23-8-10-29-27(33-23)31-21-15-30-36(4)17-21/h6-8,10,14-15,17-18,24H,9,11-13,16H2,1-5H3,(H,32,39)(H,29,31,33)/t24-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324289
PNG
((R)-5-(tert-butyl)-N-(2-(2,2-difluoroethyl)-8-(2-(...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)F)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C27H31F2N9O2/c1-27(2,3)25-36-35-24(40-25)23(39)33-21-8-10-38(15-22(28)29)13-17-11-16(5-6-19(17)21)20-7-9-30-26(34-20)32-18-12-31-37(4)14-18/h5-7,9,11-12,14,21-22H,8,10,13,15H2,1-4H3,(H,33,39)(H,30,32,34)/t21-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324290
PNG
(5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-32-22(33-36-24)23(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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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324291
PNG
((R)—N-(2-(2-((1-methyl-1H-pyrazol-4-yl)amino)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C2(C)CC2)cn1 |r|
Show InChI InChI=1S/C26H28N8O2/c1-26(10-11-26)24-32-22(33-36-24)23(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-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324292
PNG
((R)-5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2cc(ccn2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C27H31N7O2/c1-27(2,3)26-32-24(33-36-26)25(35)31-22-8-6-5-7-19-13-17(9-10-21(19)22)18-11-12-28-23(14-18)30-20-15-29-34(4)16-20/h9-16,22H,5-8H2,1-4H3,(H,28,30)(H,31,35)/t22-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324293
PNG
((R)-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 |r|
Show InChI InChI=1S/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-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324294
PNG
(3-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nc(no2)C(C)(C)C)cn1
Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-32-23(36-33-24)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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324295
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCOc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C25H28N8O3/c1-25(2,3)23-32-31-22(36-23)21(34)29-19-6-5-11-35-20-12-15(7-8-17(19)20)18-9-10-26-24(30-18)28-16-13-27-33(4)14-16/h7-10,12-14,19H,5-6,11H2,1-4H3,(H,29,34)(H,26,28,30)
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324296
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCOc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C25H28N8O3/c1-25(2,3)23-31-21(32-36-23)22(34)29-19-6-5-11-35-20-12-15(7-8-17(19)20)18-9-10-26-24(30-18)28-16-13-27-33(4)14-16/h7-10,12-14,19H,5-6,11H2,1-4H3,(H,29,34)(H,26,28,30)
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324297
PNG
(5-(tert-butyl)-N-(3-(2-((1-methyl-H-pyrazol-4-yl)a...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2cc3CCCCC(NC(=O)c4nnc(o4)C(C)(C)C)c3cn2)cn1
Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-33-32-22(36-23)21(35)30-18-8-6-5-7-15-11-20(27-13-17(15)18)19-9-10-26-24(31-19)29-16-12-28-34(4)14-16/h9-14,18H,5-8H2,1-4H3,(H,30,35)(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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324297
PNG
(5-(tert-butyl)-N-(3-(2-((1-methyl-H-pyrazol-4-yl)a...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2cc3CCCCC(NC(=O)c4nnc(o4)C(C)(C)C)c3cn2)cn1
Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-33-32-22(36-23)21(35)30-18-8-6-5-7-15-11-20(27-13-17(15)18)19-9-10-26-24(31-19)29-16-12-28-34(4)14-16/h9-14,18H,5-8H2,1-4H3,(H,30,35)(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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324299
PNG
((R)-5-(tert-butyl)-N-(3-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2cc3CCCC[C@@H](NC(=O)c4noc(n4)C(C)(C)C)c3cn2)cn1 |r|
Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-32-21(33-36-23)22(35)30-18-8-6-5-7-15-11-20(27-13-17(15)18)19-9-10-26-24(31-19)29-16-12-28-34(4)14-16/h9-14,18H,5-8H2,1-4H3,(H,30,35)(H,26,29,31)/t18-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324300
PNG
((S)-5-(tert-butyl)-N-(7- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CNCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/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)/t20-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324301
PNG
(5-(tert-butyl)-N-(8-(2-((1- methyl-1H-pyrazol-4- y...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/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)
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324302
PNG
(5-(tert-butyl)-N-(2-(2- (dimethylamino)acetyl)- 8-...)
Show SMILES CN(C)CC(=O)N1CCC(NC(=O)c2noc(n2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C29H36N10O3/c1-29(2,3)27-35-25(36-42-27)26(41)33-23-10-12-39(24(40)17-37(4)5)15-19-13-18(7-8-21(19)23)22-9-11-30-28(34-22)32-20-14-31-38(6)16-20/h7-9,11,13-14,16,23H,10,12,15,17H2,1-6H3,(H,33,41)(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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324303
PNG
((R)-5-(1,1-difluoro-2- methylpropan-2-yl)- N-(8- (...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C(F)F)cn1 |r|
Show InChI InChI=1S/C28H31F2N9O3/c1-28(2,25(29)30)26-37-36-24(42-26)23(40)34-22-7-9-39(19-14-41-15-19)12-17-10-16(4-5-20(17)22)21-6-8-31-27(35-21)33-18-11-32-38(3)13-18/h4-6,8,10-11,13,19,22,25H,7,9,12,14-15H2,1-3H3,(H,34,40)(H,31,33,35)/t22-/m1/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324304
PNG
(5-(1,1-difluoro-2- methylpropan-2-yl)- N-(2-((S)-2...)
Show SMILES C[C@H](O)CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C(F)F)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H33F2N9O3/c1-16(40)13-39-10-8-22(34-23(41)24-36-37-26(42-24)28(2,3)25(29)30)20-6-5-17(11-18(20)14-39)21-7-9-31-27(35-21)33-19-12-32-38(4)15-19/h5-7,9,11-12,15-16,22,25,40H,8,10,13-14H2,1-4H3,(H,34,41)(H,31,33,35)/t16-,22?/m0/s1
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324305
PNG
(3-(tert-butyl)-N-(2-(3- hydroxycyclobutyl)-8-(2- (...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nc(no2)C(C)(C)C)cn1 |(7.73,-4.39,;6.19,-4.39,;5.28,-5.64,;3.82,-5.16,;2.48,-5.93,;1.15,-5.16,;-.18,-5.93,;-1.52,-5.16,;-1.52,-3.62,;-.18,-2.85,;1.15,-3.62,;-.18,-1.31,;1.15,-.54,;1.15,1,;-.18,1.77,;-.18,3.31,;-1.38,4.26,;-2.88,3.91,;-3.54,2.52,;-2.88,1.13,;-1.52,1,;-1.52,-.54,;-5.02,2.92,;-5.79,4.25,;-7.13,3.48,;-8.62,3.88,;-6.36,2.15,;1.15,4.08,;2.48,3.31,;2.48,1.77,;3.94,3.83,;5.4,3.35,;6.31,4.6,;5.4,5.84,;3.94,5.37,;7.85,4.6,;8.62,5.93,;8.62,3.26,;7.08,5.93,;3.82,-3.62,;5.28,-3.14,)|
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-35-26(41-36-27)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)
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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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324306
PNG
(1-(tert-butyl)-N-(2-ethyl- 8-(2-((1-methyl-1H- pyr...)
Show SMILES CCN1CCC(NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C27H34N10O/c1-6-36-12-10-23(31-25(38)24-17-37(34-33-24)27(2,3)4)21-8-7-18(13-19(21)15-36)22-9-11-28-26(32-22)30-20-14-29-35(5)16-20/h7-9,11,13-14,16-17,23H,6,10,12,15H2,1-5H3,(H,31,38)(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 US10961237 (2021)


BindingDB Entry DOI: 10.7270/Q2GH9N29
More data for this
Ligand-Target Pair
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