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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 = 'BDBM273856'   
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))
BDBM273856
PNG
(US10071079, Example 642 | US10478424, Example 642)
Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(CC1)C(=O)CN(C)C)-c1cc(c2ncnn2c1)C(F)(F)F
Show InChI InChI=1S/C27H31F3N6O/c1-16(2)24-20-11-18(17-7-9-35(10-8-17)23(37)14-34(3)4)5-6-22(20)33-25(24)19-12-21(27(28,29)30)26-31-15-32-36(26)13-19/h5-6,11-13,15-17,33H,7-10,14H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/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))
BDBM273856
PNG
(US10071079, Example 642 | US10478424, Example 642)
Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCN(CC1)C(=O)CN(C)C)-c1cc(c2ncnn2c1)C(F)(F)F
Show InChI InChI=1S/C27H31F3N6O/c1-16(2)24-20-11-18(17-7-9-35(10-8-17)23(37)14-34(3)4)5-6-22(20)33-25(24)19-12-21(27(28,29)30)26-31-15-32-36(26)13-19/h5-6,11-13,15-17,33H,7-10,14H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/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