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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 = 'BDBM273298'   
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))
BDBM273298
PNG
(US10071079, Example 72 | US10478424, Example 72)
Show SMILES CCCNCC(=O)N1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1cc(C)c2ncnn2c1
Show InChI InChI=1S/C28H36N6O/c1-5-10-29-15-25(35)33-11-8-20(9-12-33)21-6-7-24-23(14-21)26(18(2)3)27(32-24)22-13-19(4)28-30-17-31-34(28)16-22/h6-7,13-14,16-18,20,29,32H,5,8-12,15H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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))
BDBM273298
PNG
(US10071079, Example 72 | US10478424, Example 72)
Show SMILES CCCNCC(=O)N1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1cc(C)c2ncnn2c1
Show InChI InChI=1S/C28H36N6O/c1-5-10-29-15-25(35)33-11-8-20(9-12-33)21-6-7-24-23(14-21)26(18(2)3)27(32-24)22-13-19(4)28-30-17-31-34(28)16-22/h6-7,13-14,16-18,20,29,32H,5,8-12,15H2,1-4H3
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


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