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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM273769'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 7


(Homo sapiens (Human))
BDBM273769
PNG
(US10071079, Example 555 | US10478424, Example 555)
Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(CC2(C)COC2)CC1)-c1cc(c2ncnn2c1)C(F)(F)F
Show InChI InChI=1S/C28H32F3N5O/c1-17(2)24-21-10-19(18-6-8-35(9-7-18)13-27(3)14-37-15-27)4-5-23(21)34-25(24)20-11-22(28(29,30)31)26-32-16-33-36(26)12-20/h4-5,10-12,16-18,34H,6-9,13-15H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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 US10478424 (2019)


BindingDB Entry DOI: 10.7270/Q2QZ2DB0
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM273769
PNG
(US10071079, Example 555 | US10478424, Example 555)
Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(CC2(C)COC2)CC1)-c1cc(c2ncnn2c1)C(F)(F)F
Show InChI InChI=1S/C28H32F3N5O/c1-17(2)24-21-10-19(18-6-8-35(9-7-18)13-27(3)14-37-15-27)4-5-23(21)34-25(24)20-11-22(28(29,30)31)26-32-16-33-36(26)12-20/h4-5,10-12,16-18,34H,6-9,13-15H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/a25



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 US10071079 (2018)


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