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SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)C1

InChI Key: InChIKey=IWLCLVBZZUXZKK-OCEACIFDSA-N

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 = 292130   
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))
BDBM292130
PNG
(US10100049, Example 9-2 | US11299492, Example 9-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)C1
Show InChI InChI=1S/C26H27FN6O/c1-3-15-11-24(34)20(27)12-19(15)16-4-5-18-22(10-16)30-31-25(18)26-28-21-7-9-33(14-23(21)29-26)17-6-8-32(2)13-17/h4-5,10-12,17,34H,3,6-9,13-14H2,1-2H3/b26-25+
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<0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
All of the compounds of Examples 1 to 16 and Tables 1 to 19 were tested in one or more of the assays described above. In the following tables, for th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T156V0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM292130
PNG
(US10100049, Example 9-2 | US11299492, Example 9-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)C1
Show InChI InChI=1S/C26H27FN6O/c1-3-15-11-24(34)20(27)12-19(15)16-4-5-18-22(10-16)30-31-25(18)26-28-21-7-9-33(14-23(21)29-26)17-6-8-32(2)13-17/h4-5,10-12,17,34H,3,6-9,13-14H2,1-2H3/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 JAK3


(Homo sapiens (Human))
BDBM292130
PNG
(US10100049, Example 9-2 | US11299492, Example 9-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)C1
Show InChI InChI=1S/C26H27FN6O/c1-3-15-11-24(34)20(27)12-19(15)16-4-5-18-22(10-16)30-31-25(18)26-28-21-7-9-33(14-23(21)29-26)17-6-8-32(2)13-17/h4-5,10-12,17,34H,3,6-9,13-14H2,1-2H3/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))
BDBM292130
PNG
(US10100049, Example 9-2 | US11299492, Example 9-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)C1
Show InChI InChI=1S/C26H27FN6O/c1-3-15-11-24(34)20(27)12-19(15)16-4-5-18-22(10-16)30-31-25(18)26-28-21-7-9-33(14-23(21)29-26)17-6-8-32(2)13-17/h4-5,10-12,17,34H,3,6-9,13-14H2,1-2H3/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))
BDBM292130
PNG
(US10100049, Example 9-2 | US11299492, Example 9-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)C1
Show InChI InChI=1S/C26H27FN6O/c1-3-15-11-24(34)20(27)12-19(15)16-4-5-18-22(10-16)30-31-25(18)26-28-21-7-9-33(14-23(21)29-26)17-6-8-32(2)13-17/h4-5,10-12,17,34H,3,6-9,13-14H2,1-2H3/b26-25+
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<0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
All of the compounds of Examples 1 to 16 and Tables 1 to 19 were tested in one or more of the assays described above. In the following tables, for th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T156V0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM292130
PNG
(US10100049, Example 9-2 | US11299492, Example 9-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)C1
Show InChI InChI=1S/C26H27FN6O/c1-3-15-11-24(34)20(27)12-19(15)16-4-5-18-22(10-16)30-31-25(18)26-28-21-7-9-33(14-23(21)29-26)17-6-8-32(2)13-17/h4-5,10-12,17,34H,3,6-9,13-14H2,1-2H3/b26-25+
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<0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
All of the compounds of Examples 1 to 16 and Tables 1 to 19 were tested in one or more of the assays described above. In the following tables, for th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T156V0
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM292130
PNG
(US10100049, Example 9-2 | US11299492, Example 9-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)C1
Show InChI InChI=1S/C26H27FN6O/c1-3-15-11-24(34)20(27)12-19(15)16-4-5-18-22(10-16)30-31-25(18)26-28-21-7-9-33(14-23(21)29-26)17-6-8-32(2)13-17/h4-5,10-12,17,34H,3,6-9,13-14H2,1-2H3/b26-25+
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
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0.660n/an/an/an/an/an/an/an/a


TBA

Assay Description
All of the compounds of Examples 1 to 16 and Tables 1 to 19 were tested in one or more of the assays described above. In the following tables, for th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T156V0
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM292130
PNG
(US10100049, Example 9-2 | US11299492, Example 9-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)C1
Show InChI InChI=1S/C26H27FN6O/c1-3-15-11-24(34)20(27)12-19(15)16-4-5-18-22(10-16)30-31-25(18)26-28-21-7-9-33(14-23(21)29-26)17-6-8-32(2)13-17/h4-5,10-12,17,34H,3,6-9,13-14H2,1-2H3/b26-25+
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
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