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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 = 'BDBM273981'   
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))
BDBM273981
PNG
(US10071079, Example 767 | US10478424, Example 767)
Show SMILES CC(C)N(C)CC(=O)N1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C30H40N6O/c1-18(2)28-24-14-23(22-10-12-35(13-11-22)27(37)16-34(7)19(3)4)8-9-26(24)33-29(28)25-15-36-30(31-17-32-36)21(6)20(25)5/h8-9,14-15,17-19,22,33H,10-13,16H2,1-7H3
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))
BDBM273981
PNG
(US10071079, Example 767 | US10478424, Example 767)
Show SMILES CC(C)N(C)CC(=O)N1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C30H40N6O/c1-18(2)28-24-14-23(22-10-12-35(13-11-22)27(37)16-34(7)19(3)4)8-9-26(24)33-29(28)25-15-36-30(31-17-32-36)21(6)20(25)5/h8-9,14-15,17-19,22,33H,10-13,16H2,1-7H3
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