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BDBM235727 US10117875, Example 70::US9359361, 70

SMILES: O=c1c(nc2c(NCCN3CCOCC3)nc(nc2n1CCN1CCOCC1)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=AWGMTLBHLRAFLD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 235727   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM235727
PNG
(US10117875, Example 70 | US9359361, 70)
Show SMILES O=c1c(nc2c(NCCN3CCOCC3)nc(nc2n1CCN1CCOCC1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H35N7O3/c38-30-25(23-7-3-1-4-8-23)32-26-28(31-11-12-35-15-19-39-20-16-35)33-27(24-9-5-2-6-10-24)34-29(26)37(30)14-13-36-17-21-40-22-18-36/h1-10H,11-22H2,(H,31,33,34)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 137n/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)


Article DOI: 10.1021/jm060677i
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM235727
PNG
(US10117875, Example 70 | US9359361, 70)
Show SMILES O=c1c(nc2c(NCCN3CCOCC3)nc(nc2n1CCN1CCOCC1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H35N7O3/c38-30-25(23-7-3-1-4-8-23)32-26-28(31-11-12-35-15-19-39-20-16-35)33-27(24-9-5-2-6-10-24)34-29(26)37(30)14-13-36-17-21-40-22-18-36/h1-10H,11-22H2,(H,31,33,34)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 137n/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