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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50014717   
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 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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n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50579414
PNG
(CHEMBL4867416)
Show SMILES Cc1ccccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
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n/an/a 3.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50579413
PNG
(CHEMBL4862792)
Show SMILES F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1ccccc1 |r|
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n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
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 5.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50579417
PNG
(CHEMBL4868871)
Show SMILES Cc1cnccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
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n/an/a 5.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
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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n/an/a 6.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50579418
PNG
(CHEMBL4851470)
Show SMILES Cc1ncccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
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n/an/a 7.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
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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n/an/a 7.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
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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n/an/a 8.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
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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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50579420
PNG
(CHEMBL4874824)
Show SMILES Cl.Cl.Cc1ccncc1-c1ccc2nc(NC(=O)[C@H]3C[C@@H]3F)sc2c1 |r|
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n/an/a 9.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50579423
PNG
(CHEMBL4849019)
Show SMILES Cl.Cl.Cc1csc(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(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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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446064
PNG
(US10669246, Example 121 | US10968188, Example 121)
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+/m0/s1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(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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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50579422
PNG
(CHEMBL4853083)
Show SMILES Cl.Cl.Cc1ccncc1-c1cc2sc(NC(=O)[C@@H]3C[C@@H]3F)nc2cc1F |r|
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(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
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446044
PNG
(US10669246, Example 95 | US10968188, Example 95)
Show SMILES Cc1c[nH]nc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446014
PNG
(US10669246, Example 65 | US10968188, Example 65)
Show SMILES Cc1cc(C)c(cn1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H16FN3OS/c1-9-5-10(2)20-8-13(9)11-3-4-15-16(6-11)24-18(21-15)22-17(23)12-7-14(12)19/h3-6,8,12,14H,7H2,1-2H3,(H,21,22,23)/t12-,14+/m1/s1
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50579415
PNG
(CHEMBL4878902)
Show SMILES F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cccnc1 |r|
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446065
PNG
(US10669246, Example 122 | US10968188, Example 122)
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 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(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
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TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445957
PNG
(US10669246, Example 9 | US10968188, Example 9)
Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3CO)sc2c1 |r|
Show InChI InChI=1S/C18H17N3O2S/c1-10-4-5-19-8-14(10)11-2-3-15-16(7-11)24-18(20-15)21-17(23)13-6-12(13)9-22/h2-5,7-8,12-13,22H,6,9H2,1H3,(H,20,21,23)/t12-,13-/m1/s1
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TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445960
PNG
(US10669246, Example 12)
Show SMILES Cc1ccnc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[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+/m1/s1
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TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446029
PNG
(US10669246, Example 80 | US10968188, Example 80)
Show SMILES Cc1ccncc1-c1cc(F)c2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H13F2N3OS/c1-8-2-3-20-7-11(8)9-4-13(19)15-14(5-9)24-17(21-15)22-16(23)10-6-12(10)18/h2-5,7,10,12H,6H2,1H3,(H,21,22,23)/t10-,12+/m1/s1
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TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446031
PNG
(US10669246, Example 82 | US10968188, Example 82)
Show SMILES Cc1scnc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C15H12FN3OS2/c1-7-13(17-6-21-7)8-2-3-11-12(4-8)22-15(18-11)19-14(20)9-5-10(9)16/h2-4,6,9-10H,5H2,1H3,(H,18,19,20)/t9-,10+/m1/s1
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TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446036
PNG
(US10669246, Example 87 | US10968188, Example 87)
Show SMILES F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cnccc1C#N |r|
Show InChI InChI=1S/C17H11FN4OS/c18-13-6-11(13)16(23)22-17-21-14-2-1-9(5-15(14)24-17)12-8-20-4-3-10(12)7-19/h1-5,8,11,13H,6H2,(H,21,22,23)/t11-,13+/m1/s1
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TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446022
PNG
(US10669246, Example 73 | US10968188, Example 73)
Show SMILES F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cc[nH]n1 |r|
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TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446021
PNG
(US10669246, Example 72 | US10968188, Example 72)
Show SMILES F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cnccc1C(F)(F)F |r|
Show InChI InChI=1S/C17H11F4N3OS/c18-12-6-9(12)15(25)24-16-23-13-2-1-8(5-14(13)26-16)10-7-22-4-3-11(10)17(19,20)21/h1-5,7,9,12H,6H2,(H,23,24,25)/t9-,12+/m1/s1
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n/an/a 62n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445992
PNG
(US10669246, Example 43 | US10968188, Example 43)
Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)C3CCC3)sc2c1
Show InChI InChI=1S/C18H17N3OS/c1-11-7-8-19-10-14(11)13-5-6-15-16(9-13)23-18(20-15)21-17(22)12-3-2-4-12/h5-10,12H,2-4H2,1H3,(H,20,21,22)
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n/an/a 62n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50579416
PNG
(CHEMBL4847077)
Show SMILES Cc1cccnc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
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n/an/a 72n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50579419
PNG
(CHEMBL4849907)
Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnccc1C
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n/an/a 81n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446032
PNG
(US10669246, Example 83 | US10968188, Example 83)
Show SMILES Cc1ncnc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H15FN4OS/c1-8-15(9(2)20-7-19-8)10-3-4-13-14(5-10)24-17(21-13)22-16(23)11-6-12(11)18/h3-5,7,11-12H,6H2,1-2H3,(H,21,22,23)/t11-,12+/m1/s1
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n/an/a 91n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446038
PNG
(US10669246, Example 89 | US10968188, Example 89)
Show SMILES F[C@H]1C[C@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cncnc1C(F)(F)F |r|
Show InChI InChI=1S/C16H10F4N4OS/c17-10-4-8(10)14(25)24-15-23-11-2-1-7(3-12(11)26-15)9-5-21-6-22-13(9)16(18,19)20/h1-3,5-6,8,10H,4H2,(H,23,24,25)/t8-,10+/m1/s1
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TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
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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n/an/a 394n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human c-Kit assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 2 hrs by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50579421
PNG
(CHEMBL4877273)
Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2n1 |r|
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n/an/a 496n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(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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n/an/a 1.63E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human c-Kit assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 2 hrs by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
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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n/an/a 1.98E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human c-Kit assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 2 hrs by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM445965
PNG
(US10669246, Example 18)
Show SMILES Cc1ccncc1-c1cnc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C16H13FN4OS/c1-8-2-3-18-7-11(8)9-4-13-14(19-6-9)20-16(23-13)21-15(22)10-5-12(10)17/h2-4,6-7,10,12H,5H2,1H3,(H,19,20,21,22)/t10-,12+/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(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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n/an/a 3.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human PDGFRalpha assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr by ADP-Glo assa...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
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
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n/an/a 3.66E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human c-Kit assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 2 hrs by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(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
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n/an/a 5.24E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human PDGFRalpha assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr by ADP-Glo assa...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
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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n/an/a 5.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human c-Kit assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 2 hrs by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445960
PNG
(US10669246, Example 12)
Show SMILES Cc1ccnc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[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+/m1/s1
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n/an/a 7.44E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human c-Kit assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 2 hrs by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
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
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 8.41E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human c-Kit assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 2 hrs by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(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
PDB

KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
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PubMed
n/an/a 9.45E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human PDGFRalpha assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr by ADP-Glo assa...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM445960
PNG
(US10669246, Example 12)
Show SMILES Cc1ccnc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[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+/m1/s1
PDB

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UniProtKB/SwissProt

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


TBA

Assay Description
Inhibition of recombinant human PDGFRalpha assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr by ADP-Glo assa...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(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
PDB

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UniProtKB/SwissProt

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


TBA

Assay Description
Inhibition of recombinant human PDGFRalpha assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr by ADP-Glo assa...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(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)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC sid
UniChem
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human PDGFRalpha assessed as luminescence using poly (4:1 Glu, Tyr) peptide as substrate incubated for 1 hr by ADP-Glo assa...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM446061
PNG
(US10669246, Example 112 | US10968188, Example 112)
Show SMILES CN(C(=O)[C@@H]1C[C@@H]1F)c1nc2ccc(cc2s1)-c1cnccc1C |r|
Show InChI InChI=1S/C18H16FN3OS/c1-10-5-6-20-9-13(10)11-3-4-15-16(7-11)24-18(21-15)22(2)17(23)12-8-14(12)19/h3-7,9,12,14H,8H2,1-2H3/t12-,14+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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


TBA

Assay Description
Inhibition of recombinant human His-tagged c-Abl kinase assessed as luminescence incubated for 30 mins by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01022
BindingDB Entry DOI: 10.7270/Q24M98CQ
More data for this
Ligand-Target Pair
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