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BDBM273781 US10071079, Example 567

SMILES: COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CC1)C1CC(C1)[N+]#[C-]

InChI Key:

Data: 3 IC50

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 3 hits for monomerid = 273781   
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))
BDBM273781
PNG
(US10071079, Example 567)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CC1)C1CC(C1)[N+]#[C-] |(10.48,.67,;8.94,.67,;8.17,-.67,;6.63,-.67,;5.86,-2,;6.63,-3.33,;8.17,-3.33,;9.2,-4.48,;10.61,-3.85,;10.45,-2.32,;8.94,-2,;4.32,-2,;3.41,-3.25,;1.95,-2.77,;.62,-3.54,;-.72,-2.77,;-.72,-1.23,;.62,-.46,;1.95,-1.23,;3.41,-.75,;3.81,.73,;2.72,1.82,;5.3,1.13,;-2.05,-.46,;-3.39,-1.23,;-4.72,-.46,;-4.72,1.08,;-3.39,1.85,;-2.05,1.08,;-6.05,1.85,;-6.45,3.34,;-7.96,2.95,;-7.54,1.45,;-9.29,3.72,;-10.63,4.49,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent




US Patent US10071079 (2018)


BindingDB Entry DOI: 10.7270/Q2VD71GV
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM273781
PNG
(US10071079, Example 567)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CC1)C1CC(C1)[N+]#[C-] |(10.48,.67,;8.94,.67,;8.17,-.67,;6.63,-.67,;5.86,-2,;6.63,-3.33,;8.17,-3.33,;9.2,-4.48,;10.61,-3.85,;10.45,-2.32,;8.94,-2,;4.32,-2,;3.41,-3.25,;1.95,-2.77,;.62,-3.54,;-.72,-2.77,;-.72,-1.23,;.62,-.46,;1.95,-1.23,;3.41,-.75,;3.81,.73,;2.72,1.82,;5.3,1.13,;-2.05,-.46,;-3.39,-1.23,;-4.72,-.46,;-4.72,1.08,;-3.39,1.85,;-2.05,1.08,;-6.05,1.85,;-6.45,3.34,;-7.96,2.95,;-7.54,1.45,;-9.29,3.72,;-10.63,4.49,)|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.24E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent




US Patent US10071079 (2018)


BindingDB Entry DOI: 10.7270/Q2VD71GV
More data for this
Ligand-Target Pair
Toll-like receptor 8 (TLR8)


(Homo sapiens (Human))
BDBM273781
PNG
(US10071079, Example 567)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCN(CC1)C1CC(C1)[N+]#[C-] |(10.48,.67,;8.94,.67,;8.17,-.67,;6.63,-.67,;5.86,-2,;6.63,-3.33,;8.17,-3.33,;9.2,-4.48,;10.61,-3.85,;10.45,-2.32,;8.94,-2,;4.32,-2,;3.41,-3.25,;1.95,-2.77,;.62,-3.54,;-.72,-2.77,;-.72,-1.23,;.62,-.46,;1.95,-1.23,;3.41,-.75,;3.81,.73,;2.72,1.82,;5.3,1.13,;-2.05,-.46,;-3.39,-1.23,;-4.72,-.46,;-4.72,1.08,;-3.39,1.85,;-2.05,1.08,;-6.05,1.85,;-6.45,3.34,;-7.96,2.95,;-7.54,1.45,;-9.29,3.72,;-10.63,4.49,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent




US Patent US10071079 (2018)


BindingDB Entry DOI: 10.7270/Q2VD71GV
More data for this
Ligand-Target Pair