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BDBM277563 US10072026, Example 5-25

SMILES: Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1

InChI Key: InChIKey=XANXRIVEMGLDRP-WBDAEOGXNA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 277563   
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 JAK1


(Homo sapiens (Human))
BDBM277563
PNG
(US10072026, Example 5-25)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1
Show InChI InChI=1/C29H38N8O3/c1-3-11-40-29(38)37-22-5-4-6-23(37)16-21(15-22)31-28-24-8-7-20(18-36-9-12-39-13-10-36)30-25(24)17-26(33-28)32-27-14-19(2)34-35-27/h3,7-8,14,17,21-23H,1,4-6,9-13,15-16,18H2,2H3,(H3,31,32,33,34,35)/t21-,22-,23+
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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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277563
PNG
(US10072026, Example 5-25)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1
Show InChI InChI=1/C29H38N8O3/c1-3-11-40-29(38)37-22-5-4-6-23(37)16-21(15-22)31-28-24-8-7-20(18-36-9-12-39-13-10-36)30-25(24)17-26(33-28)32-27-14-19(2)34-35-27/h3,7-8,14,17,21-23H,1,4-6,9-13,15-16,18H2,2H3,(H3,31,32,33,34,35)/t21-,22-,23+
PDB

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UniProtKB/SwissProt
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B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM277563
PNG
(US10072026, Example 5-25)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1
Show InChI InChI=1/C29H38N8O3/c1-3-11-40-29(38)37-22-5-4-6-23(37)16-21(15-22)31-28-24-8-7-20(18-36-9-12-39-13-10-36)30-25(24)17-26(33-28)32-27-14-19(2)34-35-27/h3,7-8,14,17,21-23H,1,4-6,9-13,15-16,18H2,2H3,(H3,31,32,33,34,35)/t21-,22-,23+
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277563
PNG
(US10072026, Example 5-25)
Show SMILES Cc1cc(Nc2cc3nc(CN4CCOCC4)ccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)OCC=C)n2)n[nH]1
Show InChI InChI=1/C29H38N8O3/c1-3-11-40-29(38)37-22-5-4-6-23(37)16-21(15-22)31-28-24-8-7-20(18-36-9-12-39-13-10-36)30-25(24)17-26(33-28)32-27-14-19(2)34-35-27/h3,7-8,14,17,21-23H,1,4-6,9-13,15-16,18H2,2H3,(H3,31,32,33,34,35)/t21-,22-,23+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair