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SMILES: CC(C)c1c([nH]c2ccc(nc12)N1CCN(CCCS(C)(=O)=O)CC1)-c1cn2ncnc2c(C)c1C

InChI Key: InChIKey=CUPGNVYDTUXSNA-UHFFFAOYSA-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 9 hits for monomerid = 427714   
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
Toll-like receptor 7


(Homo sapiens (Human))
BDBM427714
PNG
(US10544143, Example 147 | US10730877, Example 147 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CCCS(C)(=O)=O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C26H35N7O2S/c1-17(2)23-24(20-15-33-26(27-16-28-33)19(4)18(20)3)29-21-7-8-22(30-25(21)23)32-12-10-31(11-13-32)9-6-14-36(5,34)35/h7-8,15-17,29H,6,9-14H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427714
PNG
(US10544143, Example 147 | US10730877, Example 147 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CCCS(C)(=O)=O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C26H35N7O2S/c1-17(2)23-24(20-15-33-26(27-16-28-33)19(4)18(20)3)29-21-7-8-22(30-25(21)23)32-12-10-31(11-13-32)9-6-14-36(5,34)35/h7-8,15-17,29H,6,9-14H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.260n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM427714
PNG
(US10544143, Example 147 | US10730877, Example 147 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CCCS(C)(=O)=O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C26H35N7O2S/c1-17(2)23-24(20-15-33-26(27-16-28-33)19(4)18(20)3)29-21-7-8-22(30-25(21)23)32-12-10-31(11-13-32)9-6-14-36(5,34)35/h7-8,15-17,29H,6,9-14H2,1-5H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.87E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM427714
PNG
(US10544143, Example 147 | US10730877, Example 147 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CCCS(C)(=O)=O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C26H35N7O2S/c1-17(2)23-24(20-15-33-26(27-16-28-33)19(4)18(20)3)29-21-7-8-22(30-25(21)23)32-12-10-31(11-13-32)9-6-14-36(5,34)35/h7-8,15-17,29H,6,9-14H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM427714
PNG
(US10544143, Example 147 | US10730877, Example 147 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CCCS(C)(=O)=O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C26H35N7O2S/c1-17(2)23-24(20-15-33-26(27-16-28-33)19(4)18(20)3)29-21-7-8-22(30-25(21)23)32-12-10-31(11-13-32)9-6-14-36(5,34)35/h7-8,15-17,29H,6,9-14H2,1-5H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.87E+4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM427714
PNG
(US10544143, Example 147 | US10730877, Example 147 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CCCS(C)(=O)=O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C26H35N7O2S/c1-17(2)23-24(20-15-33-26(27-16-28-33)19(4)18(20)3)29-21-7-8-22(30-25(21)23)32-12-10-31(11-13-32)9-6-14-36(5,34)35/h7-8,15-17,29H,6,9-14H2,1-5H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.87E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM427714
PNG
(US10544143, Example 147 | US10730877, Example 147 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CCCS(C)(=O)=O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C26H35N7O2S/c1-17(2)23-24(20-15-33-26(27-16-28-33)19(4)18(20)3)29-21-7-8-22(30-25(21)23)32-12-10-31(11-13-32)9-6-14-36(5,34)35/h7-8,15-17,29H,6,9-14H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427714
PNG
(US10544143, Example 147 | US10730877, Example 147 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CCCS(C)(=O)=O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C26H35N7O2S/c1-17(2)23-24(20-15-33-26(27-16-28-33)19(4)18(20)3)29-21-7-8-22(30-25(21)23)32-12-10-31(11-13-32)9-6-14-36(5,34)35/h7-8,15-17,29H,6,9-14H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.260n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427714
PNG
(US10544143, Example 147 | US10730877, Example 147 ...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCN(CCCS(C)(=O)=O)CC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C26H35N7O2S/c1-17(2)23-24(20-15-33-26(27-16-28-33)19(4)18(20)3)29-21-7-8-22(30-25(21)23)32-12-10-31(11-13-32)9-6-14-36(5,34)35/h7-8,15-17,29H,6,9-14H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.260n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair