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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 9 (TLR9)' and Ligand = 'BDBM235730'   
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 9 (TLR9)


(Homo sapiens (Human))
BDBM235730
PNG
(US10117875, Example 73 | US9359361, 73)
Show SMILES CN1CCN(CCNc2nc(nc3n(CCN4CCN(C)CC4)c(=O)c(nc23)-c2ccccc2)-c2ccccc2)CC1
Show InChI InChI=1S/C32H41N9O/c1-37-15-19-39(20-16-37)14-13-33-30-28-31(36-29(35-30)26-11-7-4-8-12-26)41(24-23-40-21-17-38(2)18-22-40)32(42)27(34-28)25-9-5-3-6-10-25/h3-12H,13-24H2,1-2H3,(H,33,35,36)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 124n/an/an/an/an/an/a



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
HEK-Blue-hTLR9 cells were obtained from InvivoGen Inc. and used to determine test compound antagonism of human TLR9 (hTLR9) driven responses. HEK-Blu...


US Patent US10117875 (2018)

More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235730
PNG
(US10117875, Example 73 | US9359361, 73)
Show SMILES CN1CCN(CCNc2nc(nc3n(CCN4CCN(C)CC4)c(=O)c(nc23)-c2ccccc2)-c2ccccc2)CC1
Show InChI InChI=1S/C32H41N9O/c1-37-15-19-39(20-16-37)14-13-33-30-28-31(36-29(35-30)26-11-7-4-8-12-26)41(24-23-40-21-17-38(2)18-22-40)32(42)27(34-28)25-9-5-3-6-10-25/h3-12H,13-24H2,1-2H3,(H,33,35,36)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 124n/an/an/an/an/a37



JANUS BIOTHERAPEUTICS, INC.

US Patent


Assay Description
Day 1: A cell suspension of HEK-Blue™-hTLR9 cells at ~450,000 cells per ml in test medium which contained 5% (v/v) heat inactivated FBS was pre...


US Patent US9359361 (2016)


BindingDB Entry DOI: 10.7270/Q2GH9GT3
More data for this
Ligand-Target Pair