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BDBM292119 US10100049, Example 16::US10100049, Example 7-3

SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1

InChI Key: InChIKey=GOMXERQHVOCKKX-CYYJNZCTSA-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 = 292119   
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 JAK3


(Homo sapiens (Human))
BDBM292119
PNG
(US10100049, Example 16 | US10100049, Example 7-3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1
Show InChI InChI=1S/C27H29FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3/b27-26+
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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)

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


(Homo sapiens (Human))
BDBM292119
PNG
(US10100049, Example 16 | US10100049, Example 7-3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1
Show InChI InChI=1S/C27H29FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3/b27-26+
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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)

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


(Homo sapiens (Human))
BDBM292119
PNG
(US10100049, Example 16 | US10100049, Example 7-3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1
Show InChI InChI=1S/C27H29FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3/b27-26+
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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)

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


(Homo sapiens (Human))
BDBM292119
PNG
(US10100049, Example 16 | US10100049, Example 7-3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1
Show InChI InChI=1S/C27H29FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3/b27-26+
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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)

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


(Homo sapiens (Human))
BDBM292119
PNG
(US10100049, Example 16 | US10100049, Example 7-3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1
Show InChI InChI=1S/C27H29FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3/b27-26+
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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)

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


(Homo sapiens (Human))
BDBM292119
PNG
(US10100049, Example 16 | US10100049, Example 7-3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1
Show InChI InChI=1S/C27H29FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3/b27-26+
PDB

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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)

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


(Homo sapiens (Human))
BDBM292119
PNG
(US10100049, Example 16 | US10100049, Example 7-3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1
Show InChI InChI=1S/C27H29FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3/b27-26+
PDB

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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)

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


(Homo sapiens (Human))
BDBM292119
PNG
(US10100049, Example 16 | US10100049, Example 7-3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1
Show InChI InChI=1S/C27H29FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3/b27-26+
PDB

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PC sid
UniChem
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)

More data for this
Ligand-Target Pair