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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM419219'   
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))
BDBM419219
PNG
(US10457681, Compound Ia-04 | US10487084, Compound ...)
Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc4N(C)c5ccc(CNC)cc5Sc4c3)c2n1
Show InChI InChI=1S/C25H29N7O2S/c1-4-5-10-34-24-29-22(26)21-23(30-24)32(25(33)28-21)14-16-7-9-18-20(12-16)35-19-11-15(13-27-2)6-8-17(19)31(18)3/h6-9,11-12,27H,4-5,10,13-14H2,1-3H3,(H,28,33)(H2,26,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 7.5n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Engineered human embryonic kidney blue cells (HEK-Blue TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) r...


US Patent US10487084 (2019)


BindingDB Entry DOI: 10.7270/Q2P55QX7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM419219
PNG
(US10457681, Compound Ia-04 | US10487084, Compound ...)
Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc4N(C)c5ccc(CNC)cc5Sc4c3)c2n1
Show InChI InChI=1S/C25H29N7O2S/c1-4-5-10-34-24-29-22(26)21-23(30-24)32(25(33)28-21)14-16-7-9-18-20(12-16)35-19-11-15(13-27-2)6-8-17(19)31(18)3/h6-9,11-12,27H,4-5,10,13-14H2,1-3H3,(H,28,33)(H2,26,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 39n/an/an/an/a



Bristol-Myers Squibb Companay

US Patent


Assay Description
Engineered human embryonic kidney blue cells (HEK-Blue™ TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) ...


US Patent US10981914 (2021)


BindingDB Entry DOI: 10.7270/Q23X89RG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM419219
PNG
(US10457681, Compound Ia-04 | US10487084, Compound ...)
Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc4N(C)c5ccc(CNC)cc5Sc4c3)c2n1
Show InChI InChI=1S/C25H29N7O2S/c1-4-5-10-34-24-29-22(26)21-23(30-24)32(25(33)28-21)14-16-7-9-18-20(12-16)35-19-11-15(13-27-2)6-8-17(19)31(18)3/h6-9,11-12,27H,4-5,10,13-14H2,1-3H3,(H,28,33)(H2,26,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 39n/an/an/an/a



Bristol_Myers Squibb Company

US Patent


Assay Description
Engineered human embryonic kidney blue cells (HEK-Blue TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) r...


US Patent US10457681 (2019)


BindingDB Entry DOI: 10.7270/Q2N87D54
More data for this
Ligand-Target Pair