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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 437.5
BDBM473172

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 33 hits in this display   
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 Fgr


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50: Methods for In Vitro Evaluation Assays known in the art for testing compounds are used to test compounds of this invention and to assess the bi...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50: Methods for In Vitro Evaluation Assays known in the art for testing compounds are used to test compounds of this invention and to assess the bi...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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US Patent


Assay Description
IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50: Methods for In Vitro Evaluation Assays known in the art for testing compounds are used to test compounds of this invention and to assess the bi...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50: Methods for In Vitro Evaluation Assays known in the art for testing compounds are used to test compounds of this invention and to assess the bi...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 6


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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US Patent


Assay Description
IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50: Methods for In Vitro Evaluation Assays known in the art for testing compounds are used to test compounds of this invention and to assess the bi...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn [Y531F]


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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Assay Description
IC50: Methods for In Vitro Evaluation Assays known in the art for testing compounds are used to test compounds of this invention and to assess the bi...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50: Methods for In Vitro Evaluation Assays known in the art for testing compounds are used to test compounds of this invention and to assess the bi...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50: Methods for In Vitro Evaluation Assays known in the art for testing compounds are used to test compounds of this invention and to assess the bi...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 5


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50: Methods for In Vitro Evaluation Assays known in the art for testing compounds are used to test compounds of this invention and to assess the bi...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
IC50 Table 13-20: The protocol calls for test compound of the invention to be incubated with kinase, substrate, cofactors, and radio-isotope-labeled ...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 3


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 5


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E]


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM473172
PNG
((3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazol...)
Show SMILES Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Show InChI InChI=1S/C21H19N5O2S2/c22-20-18-19(13-6-8-15(9-7-13)28-14-4-2-1-3-5-14)25-26(21(18)24-12-23-20)10-17-16(27)11-29-30-17/h1-9,12,16-17,27H,10-11H2,(H2,22,23,24)/t16-,17-/m1/s1
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SABILA BIOSCIENCES LLC

US Patent


Assay Description
Kd: For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase an...


US Patent US10844038 (2020)


BindingDB Entry DOI: 10.7270/Q25D8VZ7
More data for this
Ligand-Target Pair