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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM165260'   
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))
BDBM165260
PNG
(US10604504, Example 56 | US11623921, Example 56 | ...)
Show SMILES COc1cccc2c1ncn(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]ccc13)c2=O
Show InChI InChI=1S/C25H20N4O3/c1-14-15(16-9-10-18(24(26)30)22-17(16)11-12-27-22)5-3-7-20(14)29-13-28-23-19(25(29)31)6-4-8-21(23)32-2/h3-13,27H,1-2H3,(H2,26,30)
PDB
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US Patent
n/an/a 390n/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))
BDBM165260
PNG
(US10604504, Example 56 | US11623921, Example 56 | ...)
Show SMILES COc1cccc2c1ncn(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]ccc13)c2=O
Show InChI InChI=1S/C25H20N4O3/c1-14-15(16-9-10-18(24(26)30)22-17(16)11-12-27-22)5-3-7-20(14)29-13-28-23-19(25(29)31)6-4-8-21(23)32-2/h3-13,27H,1-2H3,(H2,26,30)
PDB
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PC sid
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US Patent
n/an/a 390n/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))
BDBM165260
PNG
(US10604504, Example 56 | US11623921, Example 56 | ...)
Show SMILES COc1cccc2c1ncn(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]ccc13)c2=O
Show InChI InChI=1S/C25H20N4O3/c1-14-15(16-9-10-18(24(26)30)22-17(16)11-12-27-22)5-3-7-20(14)29-13-28-23-19(25(29)31)6-4-8-21(23)32-2/h3-13,27H,1-2H3,(H2,26,30)
PDB
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n/an/a 390n/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))
BDBM165260
PNG
(US10604504, Example 56 | US11623921, Example 56 | ...)
Show SMILES COc1cccc2c1ncn(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]ccc13)c2=O
Show InChI InChI=1S/C25H20N4O3/c1-14-15(16-9-10-18(24(26)30)22-17(16)11-12-27-22)5-3-7-20(14)29-13-28-23-19(25(29)31)6-4-8-21(23)32-2/h3-13,27H,1-2H3,(H2,26,30)
PDB
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n/an/a 390n/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))
BDBM165260
PNG
(US10604504, Example 56 | US11623921, Example 56 | ...)
Show SMILES COc1cccc2c1ncn(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]ccc13)c2=O
Show InChI InChI=1S/C25H20N4O3/c1-14-15(16-9-10-18(24(26)30)22-17(16)11-12-27-22)5-3-7-20(14)29-13-28-23-19(25(29)31)6-4-8-21(23)32-2/h3-13,27H,1-2H3,(H2,26,30)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 390n/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