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Compile Data Set for Download or QSAR

Found 153 hits Enz. Inhib. hit(s) with all data for entry = 9808   
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445969
PNG
(US10669246, Example 22 | US10968188, Example 22)
Show SMILES Cc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-11(3-2-4-15(9)22)10-5-6-14-16(7-10)24-18(20-14)21-17(23)12-8-13(12)19/h2-7,12-13,22H,8H2,1H3,(H,20,21,23)/t12-,13+/m1/s1
PDB

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US Patent
1.02E+3n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445962
PNG
(US10669246, Example 14 | US10968188, Example 14)
Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1
PDB

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US Patent
1.34E+3n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445956
PNG
(US10669246, Example 8 | US10968188, Example 8)
Show SMILES Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H13F2N3OS/c1-8-11(6-20-7-13(8)19)9-2-3-14-15(4-9)24-17(21-14)22-16(23)10-5-12(10)18/h2-4,6-7,10,12H,5H2,1H3,(H,21,22,23)/t10-,12+/m1/s1
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3.13E+3n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445951
PNG
(US10669246, Example 3 | US10968188, Example 3)
Show SMILES Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C19H17FN2OS/c1-10-4-3-5-11(2)17(10)12-6-7-15-16(8-12)24-19(21-15)22-18(23)13-9-14(13)20/h3-8,13-14H,9H2,1-2H3,(H,21,22,23)/t13-,14+/m1/s1
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3.85E+3n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445950
PNG
(US10669246, Example 2 | US10968188, Example 2)
Show SMILES Cc1cccc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H14ClFN2OS/c1-9-3-2-4-12(19)16(9)10-5-6-14-15(7-10)24-18(21-14)22-17(23)11-8-13(11)20/h2-7,11,13H,8H2,1H3,(H,21,22,23)/t11-,13+/m1/s1
PDB

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4.02E+3n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445971
PNG
(US10669246, Example 24 | US10968188, Example 24)
Show SMILES Cc1ccc2NCCc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C20H18FN3OS/c1-10-2-4-15-12(6-7-22-15)18(10)11-3-5-16-17(8-11)26-20(23-16)24-19(25)13-9-14(13)21/h2-5,8,13-14,22H,6-7,9H2,1H3,(H,23,24,25)/t13-,14+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445964
PNG
(US10669246, Example 17 | US10968188, Example 17)
Show SMILES CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C21H19FN2OS/c1-11(2)13-5-4-12(3)15(8-13)14-6-7-18-19(9-14)26-21(23-18)24-20(25)16-10-17(16)22/h4-9,16-17H,1,10H2,2-3H3,(H,23,24,25)/t16-,17+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445983
PNG
(US10669246, Example 36 | US10968188, Example 36)
Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3(F)F)sc2c1
Show InChI InChI=1S/C17H13F2N3OS/c1-9-4-5-20-8-11(9)10-2-3-13-14(6-10)24-16(21-13)22-15(23)12-7-17(12,18)19/h2-6,8,12H,7H2,1H3,(H,21,22,23)
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445952
PNG
(US10669246, Example 4 | US10968188, Example 4)
Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H14FN3OS/c1-9-4-5-19-8-12(9)10-2-3-14-15(6-10)23-17(20-14)21-16(22)11-7-13(11)18/h2-6,8,11,13H,7H2,1H3,(H,20,21,22)/t11-,13+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445949
PNG
(US10669246, Example 1 | US10968188, Example 1)
Show SMILES Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H14F2N2OS/c1-9-3-2-4-12(19)16(9)10-5-6-14-15(7-10)24-18(21-14)22-17(23)11-8-13(11)20/h2-7,11,13H,8H2,1H3,(H,21,22,23)/t11-,13+/m1/s1
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM490086
PNG
(US10968188, Example 12)
Show SMILES Cc1ccnc(C)c1-c1ccc2nc(NC(=O)C3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H16FN3OS/c1-9-5-6-20-10(2)16(9)11-3-4-14-15(7-11)24-18(21-14)22-17(23)12-8-13(12)19/h3-7,12-13H,8H2,1-2H3,(H,21,22,23)/t12?,13-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445969
PNG
(US10669246, Example 22 | US10968188, Example 22)
Show SMILES Cc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-11(3-2-4-15(9)22)10-5-6-14-16(7-10)24-18(20-14)21-17(23)12-8-13(12)19/h2-7,12-13,22H,8H2,1H3,(H,20,21,23)/t12-,13+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445969
PNG
(US10669246, Example 22 | US10968188, Example 22)
Show SMILES Cc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-11(3-2-4-15(9)22)10-5-6-14-16(7-10)24-18(20-14)21-17(23)12-8-13(12)19/h2-7,12-13,22H,8H2,1H3,(H,20,21,23)/t12-,13+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446046
PNG
(US10669246, Example 97 | US10968188, Example 97)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-c1cc[nH]n1 |r|
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n/an/a 1.20n/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445962
PNG
(US10669246, Example 14 | US10968188, Example 14)
Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446039
PNG
(US10669246, Example 90 | US10968188, Example 90)
Show SMILES O=C(Nc1nc2ccc(cc2s1)-c1cnc2[nH]ccc2c1)C1CC1
Show InChI InChI=1S/C18H14N4OS/c23-17(10-1-2-10)22-18-21-14-4-3-11(8-15(14)24-18)13-7-12-5-6-19-16(12)20-9-13/h3-10H,1-2H2,(H,19,20)(H,21,22,23)
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n/an/a 1.60n/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446026
PNG
(US10669246, Example 77 | US10968188, Example 77)
Show SMILES Cc1ccc2[nH]ccc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
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n/an/a 1.60n/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445962
PNG
(US10669246, Example 14 | US10968188, Example 14)
Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446047
PNG
(US10669246, Example 98 | US10968188, Example 98)
Show SMILES Cc1ccc2NC(=O)Cc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C20H16FN3O2S/c1-9-2-4-14-12(8-17(25)22-14)18(9)10-3-5-15-16(6-10)27-20(23-15)24-19(26)11-7-13(11)21/h2-6,11,13H,7-8H2,1H3,(H,22,25)(H,23,24,26)/t11-,13+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445971
PNG
(US10669246, Example 24 | US10968188, Example 24)
Show SMILES Cc1ccc2NCCc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C20H18FN3OS/c1-10-2-4-15-12(6-7-22-15)18(10)11-3-5-16-17(8-11)26-20(23-16)24-19(25)13-9-14(13)21/h2-5,8,13-14,22H,6-7,9H2,1H3,(H,23,24,25)/t13-,14+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445971
PNG
(US10669246, Example 24 | US10968188, Example 24)
Show SMILES Cc1ccc2NCCc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C20H18FN3OS/c1-10-2-4-15-12(6-7-22-15)18(10)11-3-5-16-17(8-11)26-20(23-16)24-19(25)13-9-14(13)21/h2-5,8,13-14,22H,6-7,9H2,1H3,(H,23,24,25)/t13-,14+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446049
PNG
(US10669246, Example 100 | US10968188, Example 100)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1ccc2nc(NC(=O)C3CC3)sc2c1
Show InChI InChI=1S/C19H16N4OS/c1-10-8-20-17-14(10)6-13(9-21-17)12-4-5-15-16(7-12)25-19(22-15)23-18(24)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,21)(H,22,23,24)
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445996
PNG
(US10669246, Example 47 | US10968188, Example 47)
Show SMILES Cc1c(F)cncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1
Show InChI InChI=1S/C17H14FN3OS/c1-9-12(7-19-8-13(9)18)11-4-5-14-15(6-11)23-17(20-14)21-16(22)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,20,21,22)
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445956
PNG
(US10669246, Example 8 | US10968188, Example 8)
Show SMILES Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H13F2N3OS/c1-8-11(6-20-7-13(8)19)9-2-3-14-15(4-9)24-17(21-14)22-16(23)10-5-12(10)18/h2-4,6-7,10,12H,5H2,1H3,(H,21,22,23)/t10-,12+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445956
PNG
(US10669246, Example 8 | US10968188, Example 8)
Show SMILES Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H13F2N3OS/c1-8-11(6-20-7-13(8)19)9-2-3-14-15(4-9)24-17(21-14)22-16(23)10-5-12(10)18/h2-4,6-7,10,12H,5H2,1H3,(H,21,22,23)/t10-,12+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446060
PNG
(US10669246, Example 111 | US10968188, Example 111)
Show SMILES Cc1ccc2ncsc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C19H14FN3OS2/c1-9-2-4-14-17(25-8-21-14)16(9)10-3-5-13-15(6-10)26-19(22-13)23-18(24)11-7-12(11)20/h2-6,8,11-12H,7H2,1H3,(H,22,23,24)/t11-,12+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446050
PNG
(US10669246, Example 101 | US10968188, Example 101)
Show SMILES F[C@H]1CC1C(=O)Nc1nc2ccc(cc2s1)-c1cnc2[nH]ccc2c1 |r|
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446034
PNG
(US10669246, Example 85 | US10968188, Example 85)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)C#C |r|
Show InChI InChI=1S/C20H15FN2OS/c1-3-12-5-4-11(2)14(8-12)13-6-7-17-18(9-13)25-20(22-17)23-19(24)15-10-16(15)21/h1,4-9,15-16H,10H2,2H3,(H,22,23,24)/t15-,16+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446057
PNG
(US10669246, Example 108 | US10968188, Example 108)
Show SMILES Cc1c(ccc2cn[nH]c12)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445970
PNG
(US10669246, Example 23 | US10968188, Example 23)
Show SMILES Cc1cc(N)nc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H17FN4OS/c1-8-5-15(20)21-9(2)16(8)10-3-4-13-14(6-10)25-18(22-13)23-17(24)11-7-12(11)19/h3-6,11-12H,7H2,1-2H3,(H2,20,21)(H,22,23,24)/t11-,12+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445952
PNG
(US10669246, Example 4 | US10968188, Example 4)
Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H14FN3OS/c1-9-4-5-19-8-12(9)10-2-3-14-15(6-10)23-17(20-14)21-16(22)11-7-13(11)18/h2-6,8,11,13H,7H2,1H3,(H,20,21,22)/t11-,13+/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445952
PNG
(US10669246, Example 4 | US10968188, Example 4)
Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H14FN3OS/c1-9-4-5-19-8-12(9)10-2-3-14-15(6-10)23-17(20-14)21-16(22)11-7-13(11)18/h2-6,8,11,13H,7H2,1H3,(H,20,21,22)/t11-,13+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446027
PNG
(US10669246, Example 78 | US10968188, Example 78)
Show SMILES Cc1cccc(F)c1-c1ccc2nc(NC(=O)C3CC3)sc2c1
Show InChI InChI=1S/C18H15FN2OS/c1-10-3-2-4-13(19)16(10)12-7-8-14-15(9-12)23-18(20-14)21-17(22)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,20,21,22)
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446051
PNG
(US10669246, Example 102 | US10968188, Example 102)
Show SMILES O=C(Nc1nc2ccc(cc2s1)-c1cnc2[nH]ncc2c1)C1CC1
Show InChI InChI=1S/C17H13N5OS/c23-16(9-1-2-9)21-17-20-13-4-3-10(6-14(13)24-17)11-5-12-8-19-22-15(12)18-7-11/h3-9H,1-2H2,(H,18,19,22)(H,20,21,23)
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446037
PNG
(US10669246, Example 88 | US10968188, Example 88)
Show SMILES Cc1ccnc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H13F2N3OS/c1-8-4-5-20-15(19)14(8)9-2-3-12-13(6-9)24-17(21-12)22-16(23)10-7-11(10)18/h2-6,10-11H,7H2,1H3,(H,21,22,23)/t10-,11+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446004
PNG
(US10669246, Example 55 | US10968188, Example 55)
Show SMILES COc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H14FN3O2S/c1-23-14-4-5-19-8-11(14)9-2-3-13-15(6-9)24-17(20-13)21-16(22)10-7-12(10)18/h2-6,8,10,12H,7H2,1H3,(H,20,21,22)/t10-,12+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446042
PNG
(US10669246, Example 93 | US10968188, Example 93)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)C#N |r|
Show InChI InChI=1S/C19H14FN3OS/c1-10-2-3-11(9-21)6-13(10)12-4-5-16-17(7-12)25-19(22-16)23-18(24)14-8-15(14)20/h2-7,14-15H,8H2,1H3,(H,22,23,24)/t14-,15+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445966
PNG
(US10669246, Example 19 | US10968188, Example 19)
Show SMILES Nc1ccc(cn1)-c1ccc2nc(NC(=O)C3CC3)sc2c1
Show InChI InChI=1S/C16H14N4OS/c17-14-6-4-11(8-18-14)10-3-5-12-13(7-10)22-16(19-12)20-15(21)9-1-2-9/h3-9H,1-2H2,(H2,17,18)(H,19,20,21)
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446035
PNG
(US10669246, Example 86 | US10968188, Example 86)
Show SMILES F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cnccc1Cl |r|
Show InChI InChI=1S/C16H11ClFN3OS/c17-11-3-4-19-7-10(11)8-1-2-13-14(5-8)23-16(20-13)21-15(22)9-6-12(9)18/h1-5,7,9,12H,6H2,(H,20,21,22)/t9-,12+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446059
PNG
(US10669246, Example 110 | US10968188, Example 110)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-c1ncc[nH]1 |r|
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445964
PNG
(US10669246, Example 17 | US10968188, Example 17)
Show SMILES CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C21H19FN2OS/c1-11(2)13-5-4-12(3)15(8-13)14-6-7-18-19(9-14)26-21(23-18)24-20(25)16-10-17(16)22/h4-9,16-17H,1,10H2,2-3H3,(H,23,24,25)/t16-,17+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445964
PNG
(US10669246, Example 17 | US10968188, Example 17)
Show SMILES CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C21H19FN2OS/c1-11(2)13-5-4-12(3)15(8-13)14-6-7-18-19(9-14)26-21(23-18)24-20(25)16-10-17(16)22/h4-9,16-17H,1,10H2,2-3H3,(H,23,24,25)/t16-,17+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445997
PNG
(US10669246, Example 48 | US10968188, Example 48)
Show SMILES Cc1c(F)cncc1-c1ccc2nc(NC(=O)C3CC3(F)F)sc2c1
Show InChI InChI=1S/C17H12F3N3OS/c1-8-10(6-21-7-12(8)18)9-2-3-13-14(4-9)25-16(22-13)23-15(24)11-5-17(11,19)20/h2-4,6-7,11H,5H2,1H3,(H,22,23,24)
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446005
PNG
(US10669246, Example 56 | US10968188, Example 56)
Show SMILES Cc1ccsc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C16H13FN2OS2/c1-8-4-5-21-14(8)9-2-3-12-13(6-9)22-16(18-12)19-15(20)10-7-11(10)17/h2-6,10-11H,7H2,1H3,(H,18,19,20)/t10-,11+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445959
PNG
(US10669246, Example 11 | US10968188, Example 11)
Show SMILES Cc1ccnc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H13ClFN3OS/c1-8-4-5-20-15(18)14(8)9-2-3-12-13(6-9)24-17(21-12)22-16(23)10-7-11(10)19/h2-6,10-11H,7H2,1H3,(H,21,22,23)/t10-,11+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445959
PNG
(US10669246, Example 11 | US10968188, Example 11)
Show SMILES Cc1ccnc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H13ClFN3OS/c1-8-4-5-20-15(18)14(8)9-2-3-12-13(6-9)24-17(21-12)22-16(23)10-7-11(10)19/h2-6,10-11H,7H2,1H3,(H,21,22,23)/t10-,11+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446024
PNG
(US10669246, Example 75 | US10968188, Example 75)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-n1cccn1 |r|
Show InChI InChI=1S/C21H17FN4OS/c1-12-3-5-14(26-8-2-7-23-26)10-15(12)13-4-6-18-19(9-13)28-21(24-18)25-20(27)16-11-17(16)22/h2-10,16-17H,11H2,1H3,(H,24,25,27)/t16-,17+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445953
PNG
(US10669246, Example 5 | US10968188, Example 5)
Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1
Show InChI InChI=1S/C17H15N3OS/c1-10-6-7-18-9-13(10)12-4-5-14-15(8-12)22-17(19-14)20-16(21)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,21)
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445953
PNG
(US10669246, Example 5 | US10968188, Example 5)
Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1
Show InChI InChI=1S/C17H15N3OS/c1-10-6-7-18-9-13(10)12-4-5-14-15(8-12)22-17(19-14)20-16(21)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,21)
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446041
PNG
(US10669246, Example 92 | US10968188, Example 92)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1)-c1nccs1 |r|
Show InChI InChI=1S/C21H16FN3OS2/c1-11-2-3-13(20-23-6-7-27-20)8-14(11)12-4-5-17-18(9-12)28-21(24-17)25-19(26)15-10-16(15)22/h2-9,15-16H,10H2,1H3,(H,24,25,26)/t15-,16+/m1/s1
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1st Biotherapeutics, Inc.

US Patent


Assay Description
c-abl kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, His-tagged recombinant human ABL1 (0.25 ng/μl) is incubated w...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
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