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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 = 'BDBM165235'   
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))
BDBM165235
PNG
(US10604504, Example 45 | US11623921, Example 45 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]ccc12
Show InChI InChI=1S/C19H17N3O2/c1-3-17(23)22-16-6-4-5-12(11(16)2)13-7-8-15(19(20)24)18-14(13)9-10-21-18/h3-10,21H,1H2,2H3,(H2,20,24)(H,22,23)
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US Patent
n/an/a 1.10n/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))
BDBM165235
PNG
(US10604504, Example 45 | US11623921, Example 45 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]ccc12
Show InChI InChI=1S/C19H17N3O2/c1-3-17(23)22-16-6-4-5-12(11(16)2)13-7-8-15(19(20)24)18-14(13)9-10-21-18/h3-10,21H,1H2,2H3,(H2,20,24)(H,22,23)
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n/an/a 1.10n/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))
BDBM165235
PNG
(US10604504, Example 45 | US11623921, Example 45 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]ccc12
Show InChI InChI=1S/C19H17N3O2/c1-3-17(23)22-16-6-4-5-12(11(16)2)13-7-8-15(19(20)24)18-14(13)9-10-21-18/h3-10,21H,1H2,2H3,(H2,20,24)(H,22,23)
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n/an/a 1.10n/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))
BDBM165235
PNG
(US10604504, Example 45 | US11623921, Example 45 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]ccc12
Show InChI InChI=1S/C19H17N3O2/c1-3-17(23)22-16-6-4-5-12(11(16)2)13-7-8-15(19(20)24)18-14(13)9-10-21-18/h3-10,21H,1H2,2H3,(H2,20,24)(H,22,23)
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n/an/a 1.10n/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))
BDBM165235
PNG
(US10604504, Example 45 | US11623921, Example 45 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]ccc12
Show InChI InChI=1S/C19H17N3O2/c1-3-17(23)22-16-6-4-5-12(11(16)2)13-7-8-15(19(20)24)18-14(13)9-10-21-18/h3-10,21H,1H2,2H3,(H2,20,24)(H,22,23)
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Article
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n/an/a 1.10n/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))
BDBM165235
PNG
(US10604504, Example 45 | US11623921, Example 45 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]ccc12
Show InChI InChI=1S/C19H17N3O2/c1-3-17(23)22-16-6-4-5-12(11(16)2)13-7-8-15(19(20)24)18-14(13)9-10-21-18/h3-10,21H,1H2,2H3,(H2,20,24)(H,22,23)
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n/an/a 1.10n/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))
BDBM165235
PNG
(US10604504, Example 45 | US11623921, Example 45 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]ccc12
Show InChI InChI=1S/C19H17N3O2/c1-3-17(23)22-16-6-4-5-12(11(16)2)13-7-8-15(19(20)24)18-14(13)9-10-21-18/h3-10,21H,1H2,2H3,(H2,20,24)(H,22,23)
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Article
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n/an/a 57n/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