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BDBM350093 (S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl)-5-propyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)(4-(2-hydroxyethyl)piperazin-1-yl)methanone::US10208040, Example 7::US10519153, Example 7::US10836763, Example C-1

SMILES: CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC

InChI Key: InChIKey=UYVNLCPHASHXKJ-SHYUYHRMSA-N

Data: 8 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 8 hits for monomerid = 350093   
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))
BDBM350093
PNG
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
Show InChI InChI=1S/C31H36FN7O3/c1-3-7-39-18-26-25(17-27(39)31(42)38-10-8-37(9-11-38)12-13-40)33-30(34-26)29-21-6-5-20(14-24(21)35-36-29)22-16-23(32)28(41)15-19(22)4-2/h5-6,14-16,27,40-41H,3-4,7-13,17-18H2,1-2H3/b30-29-/t27-/m0/s1
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0.0320n/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 US10836763 (2020)

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


(Homo sapiens (Human))
BDBM350093
PNG
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
Show InChI InChI=1S/C31H36FN7O3/c1-3-7-39-18-26-25(17-27(39)31(42)38-10-8-37(9-11-38)12-13-40)33-30(34-26)29-21-6-5-20(14-24(21)35-36-29)22-16-23(32)28(41)15-19(22)4-2/h5-6,14-16,27,40-41H,3-4,7-13,17-18H2,1-2H3/b30-29-/t27-/m0/s1
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0.0600n/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 US10208040 (2019)


BindingDB Entry DOI: 10.7270/Q20867FC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM350093
PNG
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
Show InChI InChI=1S/C31H36FN7O3/c1-3-7-39-18-26-25(17-27(39)31(42)38-10-8-37(9-11-38)12-13-40)33-30(34-26)29-21-6-5-20(14-24(21)35-36-29)22-16-23(32)28(41)15-19(22)4-2/h5-6,14-16,27,40-41H,3-4,7-13,17-18H2,1-2H3/b30-29-/t27-/m0/s1
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0.0600n/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 US10519153 (2019)


BindingDB Entry DOI: 10.7270/Q2DB8482
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM350093
PNG
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
Show InChI InChI=1S/C31H36FN7O3/c1-3-7-39-18-26-25(17-27(39)31(42)38-10-8-37(9-11-38)12-13-40)33-30(34-26)29-21-6-5-20(14-24(21)35-36-29)22-16-23(32)28(41)15-19(22)4-2/h5-6,14-16,27,40-41H,3-4,7-13,17-18H2,1-2H3/b30-29-/t27-/m0/s1
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0.0630n/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 US10836763 (2020)

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


(Homo sapiens (Human))
BDBM350093
PNG
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
Show InChI InChI=1S/C31H36FN7O3/c1-3-7-39-18-26-25(17-27(39)31(42)38-10-8-37(9-11-38)12-13-40)33-30(34-26)29-21-6-5-20(14-24(21)35-36-29)22-16-23(32)28(41)15-19(22)4-2/h5-6,14-16,27,40-41H,3-4,7-13,17-18H2,1-2H3/b30-29-/t27-/m0/s1
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0.160n/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 US10208040 (2019)


BindingDB Entry DOI: 10.7270/Q20867FC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM350093
PNG
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
Show InChI InChI=1S/C31H36FN7O3/c1-3-7-39-18-26-25(17-27(39)31(42)38-10-8-37(9-11-38)12-13-40)33-30(34-26)29-21-6-5-20(14-24(21)35-36-29)22-16-23(32)28(41)15-19(22)4-2/h5-6,14-16,27,40-41H,3-4,7-13,17-18H2,1-2H3/b30-29-/t27-/m0/s1
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0.160n/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 US10519153 (2019)


BindingDB Entry DOI: 10.7270/Q2DB8482
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM350093
PNG
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
Show InChI InChI=1S/C31H36FN7O3/c1-3-7-39-18-26-25(17-27(39)31(42)38-10-8-37(9-11-38)12-13-40)33-30(34-26)29-21-6-5-20(14-24(21)35-36-29)22-16-23(32)28(41)15-19(22)4-2/h5-6,14-16,27,40-41H,3-4,7-13,17-18H2,1-2H3/b30-29-/t27-/m0/s1
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0.200n/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 US10836763 (2020)

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


(Homo sapiens (Human))
BDBM350093
PNG
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
Show InChI InChI=1S/C31H36FN7O3/c1-3-7-39-18-26-25(17-27(39)31(42)38-10-8-37(9-11-38)12-13-40)33-30(34-26)29-21-6-5-20(14-24(21)35-36-29)22-16-23(32)28(41)15-19(22)4-2/h5-6,14-16,27,40-41H,3-4,7-13,17-18H2,1-2H3/b30-29-/t27-/m0/s1
PDB

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0.794n/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 US10836763 (2020)

More data for this
Ligand-Target Pair