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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 = 'BDBM273320'   
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))
BDBM273320
PNG
(8-ethyl-6-(3-isopropyl-5-(piperidin-4-yl)-1H-indol...)
Show SMILES CCc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1
Show InChI InChI=1S/C24H29N5/c1-4-16-11-19(13-29-24(16)26-14-27-29)23-22(15(2)3)20-12-18(5-6-21(20)28-23)17-7-9-25-10-8-17/h5-6,11-15,17,25,28H,4,7-10H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.70n/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 8


(Homo sapiens (Human))
BDBM273320
PNG
(8-ethyl-6-(3-isopropyl-5-(piperidin-4-yl)-1H-indol...)
Show SMILES CCc1cc(cn2ncnc12)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1
Show InChI InChI=1S/C24H29N5/c1-4-16-11-19(13-29-24(16)26-14-27-29)23-22(15(2)3)20-12-18(5-6-21(20)28-23)17-7-9-25-10-8-17/h5-6,11-15,17,25,28H,4,7-10H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.70n/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