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BDBM292115 US10100049, Example 12::US10183942, Example 12::US10526330, Example 12::US10913740, Example 12

SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1

InChI Key: InChIKey=JTDUVDAQVXFYKQ-OCEACIFDSA-N

Data: 16 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 292115   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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<0.100n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...


US Patent US10100049 (2018)


BindingDB Entry DOI: 10.7270/Q27M09Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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<0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10526330 (2020)


BindingDB Entry DOI: 10.7270/Q2TF00RD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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<0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10526330 (2020)


BindingDB Entry DOI: 10.7270/Q2TF00RD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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<0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10913740 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10183942 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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<0.100n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...


US Patent US10100049 (2018)


BindingDB Entry DOI: 10.7270/Q27M09Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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<0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10913740 (2021)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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0.550n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10526330 (2020)


BindingDB Entry DOI: 10.7270/Q2TF00RD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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0.550n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...


US Patent US10100049 (2018)


BindingDB Entry DOI: 10.7270/Q27M09Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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0.550n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10913740 (2021)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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0.660n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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0.660n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...


US Patent US10100049 (2018)


BindingDB Entry DOI: 10.7270/Q27M09Z8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
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0.660n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10913740 (2021)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1S/C26H28F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3/b26-25+
PDB

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0.660n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10526330 (2020)


BindingDB Entry DOI: 10.7270/Q2TF00RD
More data for this
Ligand-Target Pair