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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM165253'   
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))
BDBM165253
PNG
(US10604504, Example 49 | US11623921, Example 49 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c2c1C)C(N)=O
Show InChI InChI=1S/C26H22N4O2/c1-14-16(3)29-24-20(25(27)31)12-11-18(23(14)24)17-8-6-10-22(15(17)2)30-13-28-21-9-5-4-7-19(21)26(30)32/h4-13,29H,1-3H3,(H2,27,31)
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n/an/a 12n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US9688629 (2017)


BindingDB Entry DOI: 10.7270/Q20863G5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM165253
PNG
(US10604504, Example 49 | US11623921, Example 49 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c2c1C)C(N)=O
Show InChI InChI=1S/C26H22N4O2/c1-14-16(3)29-24-20(25(27)31)12-11-18(23(14)24)17-8-6-10-22(15(17)2)30-13-28-21-9-5-4-7-19(21)26(30)32/h4-13,29H,1-3H3,(H2,27,31)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US9802915 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM165253
PNG
(US10604504, Example 49 | US11623921, Example 49 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c2c1C)C(N)=O
Show InChI InChI=1S/C26H22N4O2/c1-14-16(3)29-24-20(25(27)31)12-11-18(23(14)24)17-8-6-10-22(15(17)2)30-13-28-21-9-5-4-7-19(21)26(30)32/h4-13,29H,1-3H3,(H2,27,31)
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n/an/a 12n/an/an/an/an/an/a



Montana State University



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2474D50
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM165253
PNG
(US10604504, Example 49 | US11623921, Example 49 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c2c1C)C(N)=O
Show InChI InChI=1S/C26H22N4O2/c1-14-16(3)29-24-20(25(27)31)12-11-18(23(14)24)17-8-6-10-22(15(17)2)30-13-28-21-9-5-4-7-19(21)26(30)32/h4-13,29H,1-3H3,(H2,27,31)
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n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2X06C0T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM165253
PNG
(US10604504, Example 49 | US11623921, Example 49 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c2c1C)C(N)=O
Show InChI InChI=1S/C26H22N4O2/c1-14-16(3)29-24-20(25(27)31)12-11-18(23(14)24)17-8-6-10-22(15(17)2)30-13-28-21-9-5-4-7-19(21)26(30)32/h4-13,29H,1-3H3,(H2,27,31)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ...


Bioorg Med Chem Lett 28: 3080-3084 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.041
BindingDB Entry DOI: 10.7270/Q2NZ8B9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM165253
PNG
(US10604504, Example 49 | US11623921, Example 49 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c2c1C)C(N)=O
Show InChI InChI=1S/C26H22N4O2/c1-14-16(3)29-24-20(25(27)31)12-11-18(23(14)24)17-8-6-10-22(15(17)2)30-13-28-21-9-5-4-7-19(21)26(30)32/h4-13,29H,1-3H3,(H2,27,31)
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10604504 (2020)


BindingDB Entry DOI: 10.7270/Q2H70JT2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM165253
PNG
(US10604504, Example 49 | US11623921, Example 49 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c2c1C)C(N)=O
Show InChI InChI=1S/C26H22N4O2/c1-14-16(3)29-24-20(25(27)31)12-11-18(23(14)24)17-8-6-10-22(15(17)2)30-13-28-21-9-5-4-7-19(21)26(30)32/h4-13,29H,1-3H3,(H2,27,31)
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Article
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n/an/a 890n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of BTK in human Ramos cells assessed as reduction in intracellular calcium level incubated for 1 hr measured for 180 secs by FLIPR assay


Bioorg Med Chem Lett 28: 3080-3084 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.041
BindingDB Entry DOI: 10.7270/Q2NZ8B9C
More data for this
Ligand-Target Pair