BindingDB logo
myBDB logout

USPatent 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))
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
Show InChI InChI=1S/C25H20ClN3O2/c1-2-21(30)29-11-10-15-14(13-29)6-5-8-16(15)22-19(26)12-18(25(27)31)24-23(22)17-7-3-4-9-20(17)28-24/h2-9,12,28H,1,10-11,13H2,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/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 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
Show InChI InChI=1S/C25H19ClFN3O2/c1-2-21(31)30-9-8-15-13(12-30)4-3-5-16(15)22-19(27)11-18(25(28)32)24-23(22)17-10-14(26)6-7-20(17)29-24/h2-7,10-11,29H,1,8-9,12H2,(H2,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/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 US10023534 (2018)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1S/C24H19FN4O2/c1-2-20(30)29-9-7-14-13(12-29)4-3-5-15(14)21-18(25)10-16(24(26)31)23-22(21)17-11-27-8-6-19(17)28-23/h2-6,8,10-11,28H,1,7,9,12H2,(H2,26,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0n/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 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
Show InChI InChI=1S/C25H24ClN3O2/c1-2-21(30)29-11-10-15-14(13-29)6-5-8-16(15)22-19(26)12-18(25(27)31)24-23(22)17-7-3-4-9-20(17)28-24/h2,5-6,8,12,28H,1,3-4,7,9-11,13H2,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00100n/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 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
Show InChI InChI=1S/C27H23F2N3O2/c1-2-23(33)32-11-9-17-16(14-32)4-3-5-18(17)24-21(29)13-20(27(30)34)26-25(24)19-7-6-15(8-10-28)12-22(19)31-26/h2-7,12-13,31H,1,8-11,14H2,(H2,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0290n/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 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
Show InChI InChI=1S/C28H30FN3O3/c1-4-23(33)32-11-10-17-15(14-32)6-5-7-18(17)24-21(29)13-20(27(30)34)26-25(24)19-9-8-16(28(2,3)35)12-22(19)31-26/h4-7,13,16,31,35H,1,8-12,14H2,2-3H3,(H2,30,34)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0450n/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 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
Show InChI InChI=1S/C25H20FN3O2/c1-2-21(30)29-11-10-15-14(13-29)6-5-8-16(15)22-19(26)12-18(25(27)31)24-23(22)17-7-3-4-9-20(17)28-24/h2-9,12,28H,1,10-11,13H2,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0670n/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 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
Show InChI InChI=1S/C24H18FN3O2S/c1-2-19(29)28-10-11-31-23-14(7-5-9-18(23)28)20-16(25)12-15(24(26)30)22-21(20)13-6-3-4-8-17(13)27-22/h2-9,12,27H,1,10-11H2,(H2,26,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0730n/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 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
Show InChI InChI=1S/C24H18FN3O3/c1-2-19(29)28-10-11-31-23-14(7-5-9-18(23)28)20-16(25)12-15(24(26)30)22-21(20)13-6-3-4-8-17(13)27-22/h2-9,12,27H,1,10-11H2,(H2,26,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0750n/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 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
Show InChI InChI=1S/C24H18FN3O3/c1-2-19(29)28-10-11-31-23-14(7-5-9-18(23)28)20-16(25)12-15(24(26)30)22-21(20)13-6-3-4-8-17(13)27-22/h2-9,12,27H,1,10-11H2,(H2,26,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0770n/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 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
Show InChI InChI=1S/C25H22F3N3O2/c1-2-20(32)31-9-7-14-13(12-31)4-3-5-15(14)21-18(26)10-16(24(29)33)23-22(21)17-11-25(27,28)8-6-19(17)30-23/h2-5,10,30H,1,6-9,11-12H2,(H2,29,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.120n/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 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
Show InChI InChI=1S/C26H23F4N3O2/c1-2-21(34)33-9-8-15-13(12-33)4-3-5-16(15)22-19(27)11-18(25(31)35)24-23(22)17-7-6-14(26(28,29)30)10-20(17)32-24/h2-5,11,14,32H,1,6-10,12H2,(H2,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.130n/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 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
Show InChI InChI=1S/C24H18FN3O2S/c1-2-19(29)28-10-11-31-23-14(7-5-9-18(23)28)20-16(25)12-15(24(26)30)22-21(20)13-6-3-4-8-17(13)27-22/h2-9,12,27H,1,10-11H2,(H2,26,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.130n/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 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
Show InChI InChI=1S/C28H25FN4O3/c1-4-23(34)33-11-10-17-16(14-33)6-5-7-18(17)24-21(29)13-20(27(30)35)26-25(24)19-9-8-15(12-22(19)31-26)28(36)32(2)3/h4-9,12-13,31H,1,10-11,14H2,2-3H3,(H2,30,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.170n/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 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
Show InChI InChI=1S/C25H20ClN3O2/c1-2-21(30)29-11-10-15-14(13-29)6-5-8-16(15)22-19(26)12-18(25(27)31)24-23(22)17-7-3-4-9-20(17)28-24/h2-9,12,28H,1,10-11,13H2,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.180n/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 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
Show InChI InChI=1S/C26H19F4N3O2/c1-2-21(34)33-9-8-15-13(12-33)4-3-5-16(15)22-19(27)11-18(25(31)35)24-23(22)17-7-6-14(26(28,29)30)10-20(17)32-24/h2-7,10-11,32H,1,8-9,12H2,(H2,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.180n/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 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
Show InChI InChI=1S/C25H22F3N3O2/c1-2-20(32)31-9-7-14-13(12-31)4-3-5-15(14)21-18(26)10-16(24(29)33)23-22(21)17-11-25(27,28)8-6-19(17)30-23/h2-5,10,30H,1,6-9,11-12H2,(H2,29,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.180n/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 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
Show InChI InChI=1S/C26H23F4N3O2/c1-2-21(34)33-9-8-15-13(12-33)4-3-5-16(15)22-19(27)11-18(25(31)35)24-23(22)17-7-6-14(26(28,29)30)10-20(17)32-24/h2-5,11,14,32H,1,6-10,12H2,(H2,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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 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
Show InChI InChI=1S/C26H19F4N3O3/c1-2-20(34)33-9-4-10-36-24-15(5-3-6-19(24)33)21-17(27)12-16(25(31)35)23-22(21)14-8-7-13(26(28,29)30)11-18(14)32-23/h2-3,5-8,11-12,32H,1,4,9-10H2,(H2,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.370n/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 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
Show InChI InChI=1S/C27H24FN3O3/c1-2-23(33)31-10-8-17-16(14-31)4-3-5-18(17)24-21(28)13-20(27(29)34)26-25(24)19-7-6-15(9-11-32)12-22(19)30-26/h2-7,12-13,30,32H,1,8-11,14H2,(H2,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/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 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
Show InChI InChI=1S/C24H23ClN4O2/c1-2-20(30)29-9-7-14-13(12-29)4-3-5-15(14)21-18(25)10-16(24(26)31)23-22(21)17-11-27-8-6-19(17)28-23/h2-5,10,27-28H,1,6-9,11-12H2,(H2,26,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/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 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
Show InChI InChI=1S/C25H21FN4O2/c26-20-11-19(25(28)32)24-23(18-5-4-14(7-9-31)10-21(18)29-24)22(20)17-3-1-2-15-12-30(13-27)8-6-16(15)17/h1-5,10-11,29,31H,6-9,12H2,(H2,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/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 US10023534 (2018)

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