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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 = 'BDBM273855'   
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))
BDBM273855
PNG
(US10071079, Example 641 | US10478424, Example 641)
Show SMILES CNCC(=O)N1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1cc(c2ncnn2c1)C(F)(F)F
Show InChI InChI=1S/C26H29F3N6O/c1-15(2)23-19-10-17(16-6-8-34(9-7-16)22(36)12-30-3)4-5-21(19)33-24(23)18-11-20(26(27,28)29)25-31-14-32-35(25)13-18/h4-5,10-11,13-16,30,33H,6-9,12H2,1-3H3
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))
BDBM273855
PNG
(US10071079, Example 641 | US10478424, Example 641)
Show SMILES CNCC(=O)N1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1cc(c2ncnn2c1)C(F)(F)F
Show InChI InChI=1S/C26H29F3N6O/c1-15(2)23-19-10-17(16-6-8-34(9-7-16)22(36)12-30-3)4-5-21(19)33-24(23)18-11-20(26(27,28)29)25-31-14-32-35(25)13-18/h4-5,10-11,13-16,30,33H,6-9,12H2,1-3H3
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