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BDBM292114 US10100049, Example 11::US10183942, Example 11::US10526330, Example 11::US10913740, Example 11

SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1

InChI Key: InChIKey=YCNDLPMBPGXHBV-BDSWOBDFSA-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 20 hits for monomerid = 292114   
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 JAK2


(Homo sapiens (Human))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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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))
US11299492, Example 11
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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<0.100n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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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 JAK2


(Homo sapiens (Human))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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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))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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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 JAK3


(Homo sapiens (Human))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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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))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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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 JAK1


(Homo sapiens (Human))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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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 US10183942 (2019)


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


(Homo sapiens (Human))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
US11299492, Example 11
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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TBA



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


(Homo sapiens (Human))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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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 JAK1


(Homo sapiens (Human))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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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 JAK1


(Homo sapiens (Human))
US11299492, Example 11
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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0.550n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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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 JAK1


(Homo sapiens (Human))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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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))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
PDB

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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))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
PDB

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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))
US11299492, Example 11
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
PDB

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TBA



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


(Homo sapiens (Human))
BDBM292114
PNG
(US10100049, Example 11 | US10183942, Example 11 | ...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3CCCN3C)CCc2[nH]1 |r|
Show InChI InChI=1S/C27H29FN6O/c1-3-16-12-25(35)21(28)13-20(16)17-6-7-19-23(11-17)31-32-26(19)27-29-22-8-10-34(15-24(22)30-27)14-18-5-4-9-33(18)2/h6-7,11-13,18,35H,3-5,8-10,14-15H2,1-2H3/b27-26+/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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US Patent
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