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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 8' and Ligand = 'BDBM441995'   
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 8


(Homo sapiens (Human))
BDBM441995
PNG
(US10660877, Example 23)
Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccncc1C
Show InChI InChI=1S/C22H27N3/c1-14(2)21-19-12-17(16-6-9-23-10-7-16)4-5-20(19)25-22(21)18-8-11-24-13-15(18)3/h4-5,8,11-14,16,23,25H,6-7,9-10H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00049
BindingDB Entry DOI: 10.7270/Q2JH3R6P
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM441995
PNG
(US10660877, Example 23)
Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1ccncc1C
Show InChI InChI=1S/C22H27N3/c1-14(2)21-19-12-17(16-6-9-23-10-7-16)4-5-20(19)25-22(21)18-8-11-24-13-15(18)3/h4-5,8,11-14,16,23,25H,6-7,9-10H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 32.3n/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 US10660877 (2020)


BindingDB Entry DOI: 10.7270/Q24M97K0
More data for this
Ligand-Target Pair