Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM50539347' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Toll-like receptor 7
(Mus musculus) | BDBM50539347
(CHEMBL4639831)Show SMILES [H][C@@]12O[C@H](CNC(=O)c3ccc(Cn4c(O)nc5c(N)nc(OCCOC)nc45)cc3)[C@@]([H])(O[C@H]3O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@]([H])(O[C@H]6O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r| Show InChI InChI=1S/C52H76N6O33/c1-78-6-7-79-51-56-42(53)23-43(57-51)58(52(77)55-23)9-15-2-4-16(5-3-15)44(76)54-8-17-36-24(64)30(70)45(80-17)87-37-18(10-59)82-47(32(72)26(37)66)89-39-20(12-61)84-49(34(74)28(39)68)91-41-22(14-63)85-50(35(75)29(41)69)90-40-21(13-62)83-48(33(73)27(40)67)88-38-19(11-60)81-46(86-36)31(71)25(38)65/h2-5,17-22,24-41,45-50,59-75H,6-14H2,1H3,(H,54,76)(H,55,77)(H2,53,56,57)/t17-,18-,19-,20-,21-,22-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,45-,46-,47-,48-,49-,50-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 71 | n/a | n/a | n/a | n/a |
Kagoshima University
Curated by ChEMBL
| Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Mus musculus) | BDBM50539347
(CHEMBL4639831)Show SMILES [H][C@@]12O[C@H](CNC(=O)c3ccc(Cn4c(O)nc5c(N)nc(OCCOC)nc45)cc3)[C@@]([H])(O[C@H]3O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@]([H])(O[C@H]6O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r| Show InChI InChI=1S/C52H76N6O33/c1-78-6-7-79-51-56-42(53)23-43(57-51)58(52(77)55-23)9-15-2-4-16(5-3-15)44(76)54-8-17-36-24(64)30(70)45(80-17)87-37-18(10-59)82-47(32(72)26(37)66)89-39-20(12-61)84-49(34(74)28(39)68)91-41-22(14-63)85-50(35(75)29(41)69)90-40-21(13-62)83-48(33(73)27(40)67)88-38-19(11-60)81-46(86-36)31(71)25(38)65/h2-5,17-22,24-41,45-50,59-75H,6-14H2,1H3,(H,54,76)(H,55,77)(H2,53,56,57)/t17-,18-,19-,20-,21-,22-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,45-,46-,47-,48-,49-,50-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 128 | n/a | n/a | n/a | n/a |
Kagoshima University
Curated by ChEMBL
| Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ... |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ |
More data for this
Ligand-Target Pair | |
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