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Patent code US10023534

Compile Data Set for Download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
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))
BDBM281763
PNG
(9-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3cnccc3[nH]c12
PDB
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n/an/a 0n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281761
PNG
(4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3cc(Cl)ccc3[nH]c12
PDB
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n/an/a 0n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281762
PNG
(4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...)
Show SMILES NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12
PDB
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n/an/a 0n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281764
PNG
(5-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...)
Show SMILES NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CCCCc3[nH]c12
PDB
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n/an/a 0.00100n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281758
PNG
(4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccc(CCF)cc3[nH]c12
PDB
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n/an/a 0.0290n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281750
PNG
(5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...)
Show SMILES CC(C)(O)[C@H]1CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c21)C(N)=O
PDB
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n/an/a 0.0450n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281746
PNG
(4-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12
PDB
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n/an/a 0.0670n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281754
PNG
(US10023534, Example 13 | US10023534, Example 14)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCSc23)C(=O)C=C)c2c3ccccc3[nH]c12
PDB
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n/an/a 0.0730n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281745
PNG
(US10023534, Example 3 | US10023534, Example 8)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCOc23)C(=O)C=C)c2c3ccccc3[nH]c12
PDB
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n/an/a 0.0750n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281745
PNG
(US10023534, Example 3 | US10023534, Example 8)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCOc23)C(=O)C=C)c2c3ccccc3[nH]c12
PDB
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n/an/a 0.0770n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281744
PNG
((RS)-5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CC(F)(F)CCc3[nH]c12
PDB
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n/an/a 0.120n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281751
PNG
(5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CCC(Cc3[nH]c12)C(F)(F)F
PDB
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n/an/a 0.130n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281754
PNG
(US10023534, Example 13 | US10023534, Example 14)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCSc23)C(=O)C=C)c2c3ccccc3[nH]c12
PDB
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n/an/a 0.130n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281760
PNG
(4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...)
Show SMILES CN(C)C(=O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c21)C(N)=O
PDB
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n/an/a 0.170n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281748
PNG
(4-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F
PDB
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n/an/a 0.180n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281756
PNG
(4-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...)
Show SMILES NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12
PDB
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n/an/a 0.180n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281744
PNG
((RS)-5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CC(F)(F)CCc3[nH]c12
PDB
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n/an/a 0.180n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281751
PNG
(5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CCC(Cc3[nH]c12)C(F)(F)F
PDB
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n/an/a 0.300n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281753
PNG
(4-(5-Acryloyl-2,3,4,5-tetrahydrobenzo[b][1,4]oxaze...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCCOc23)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F
PDB
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n/an/a 0.370n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281757
PNG
(4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccc(CCO)cc3[nH]c12
PDB
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n/an/a 1.5n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281765
PNG
(9-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...)
Show SMILES NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CNCCc3[nH]c12
PDB
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n/an/a 2.30n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM281759
PNG
(4-(2-cyano-1,2,3,4- tetrahydroisoquinolin- 5-yl)-3...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C#N)c2c3ccc(CCO)cc3[nH]c12
PDB
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n/an/a 4.80n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%