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BDBM277616 US10072026, Example 6-35::US10947254, Example 6-35

SMILES: COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCOC3=O)c2c1

InChI Key:

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 = 277616   
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))
BDBM277616
PNG
(US10072026, Example 6-35 | US10947254, Example 6-3...)
Show SMILES COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCOC3=O)c2c1 |r,TLB:28:27:24.23:20.26.21|
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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 US10947254 (2021)

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


(Homo sapiens (Human))
BDBM277616
PNG
(US10072026, Example 6-35 | US10947254, Example 6-3...)
Show SMILES COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCOC3=O)c2c1 |r,TLB:28:27:24.23:20.26.21|
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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 (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10072026 (2018)


BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277616
PNG
(US10072026, Example 6-35 | US10947254, Example 6-3...)
Show SMILES COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCOC3=O)c2c1 |r,TLB:28:27:24.23:20.26.21|
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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 US10947254 (2021)

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


(Homo sapiens (Human))
BDBM277616
PNG
(US10072026, Example 6-35 | US10947254, Example 6-3...)
Show SMILES COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCOC3=O)c2c1 |r,TLB:28:27:24.23:20.26.21|
PDB

KEGG

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
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 US10947254 (2021)

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


(Homo sapiens (Human))
BDBM277616
PNG
(US10072026, Example 6-35 | US10947254, Example 6-3...)
Show SMILES COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCOC3=O)c2c1 |r,TLB:28:27:24.23:20.26.21|
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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 (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10072026 (2018)


BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277616
PNG
(US10072026, Example 6-35 | US10947254, Example 6-3...)
Show SMILES COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCOC3=O)c2c1 |r,TLB:28:27:24.23:20.26.21|
PDB

KEGG

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UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
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 (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10072026 (2018)


BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM277616
PNG
(US10072026, Example 6-35 | US10947254, Example 6-3...)
Show SMILES COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCOC3=O)c2c1 |r,TLB:28:27:24.23:20.26.21|
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50n/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 US10947254 (2021)

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


(Homo sapiens (Human))
BDBM277616
PNG
(US10072026, Example 6-35 | US10947254, Example 6-3...)
Show SMILES COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C3CCOC3=O)c2c1 |r,TLB:28:27:24.23:20.26.21|
PDB

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PC sid
UniChem
US Patent
50n/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 (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10072026 (2018)


BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair