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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM377369'   
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))
BDBM377369
PNG
(US10266491, Example 37 | US11053197, Example 37)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)29(4)17-8-6-7-15(13-17)18-11-12-20(25(27)31)24-23(18)19-10-9-16(26(2,3)32)14-21(19)28-24/h5-14,28,32H,1H2,2-4H3,(H2,27,31)
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n/an/a 0.160n/an/an/an/an/an/a



Curacyte Chemistry GmbH



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 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377369
PNG
(US10266491, Example 37 | US11053197, Example 37)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)29(4)17-8-6-7-15(13-17)18-11-12-20(25(27)31)24-23(18)19-10-9-16(26(2,3)32)14-21(19)28-24/h5-14,28,32H,1H2,2-4H3,(H2,27,31)
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n/an/a 0.160n/an/an/an/an/an/a



Curacyte Chemistry GmbH



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 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377369
PNG
(US10266491, Example 37 | US11053197, Example 37)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)29(4)17-8-6-7-15(13-17)18-11-12-20(25(27)31)24-23(18)19-10-9-16(26(2,3)32)14-21(19)28-24/h5-14,28,32H,1H2,2-4H3,(H2,27,31)
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n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377369
PNG
(US10266491, Example 37 | US11053197, Example 37)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)29(4)17-8-6-7-15(13-17)18-11-12-20(25(27)31)24-23(18)19-10-9-16(26(2,3)32)14-21(19)28-24/h5-14,28,32H,1H2,2-4H3,(H2,27,31)
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n/an/a 0.160n/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))
BDBM377369
PNG
(US10266491, Example 37 | US11053197, Example 37)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)29(4)17-8-6-7-15(13-17)18-11-12-20(25(27)31)24-23(18)19-10-9-16(26(2,3)32)14-21(19)28-24/h5-14,28,32H,1H2,2-4H3,(H2,27,31)
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n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377369
PNG
(US10266491, Example 37 | US11053197, Example 37)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)29(4)17-8-6-7-15(13-17)18-11-12-20(25(27)31)24-23(18)19-10-9-16(26(2,3)32)14-21(19)28-24/h5-14,28,32H,1H2,2-4H3,(H2,27,31)
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PC cid
PC sid
UniChem
Article
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n/an/a 23n/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