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SMILES: CCCCNCc1cnc(Cn2c(O)nc3c(N)nc(OCCCC)nc23)cn1

InChI Key: InChIKey=XSUXNQGJDIWOFY-UHFFFAOYSA-N

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 = 483325   
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
Interleukin-6


(Homo sapiens (Human))
BDBM483325
PNG
(US10919895, Compound Ia-09)
Show SMILES CCCCNCc1cnc(Cn2c(O)nc3c(N)nc(OCCCC)nc23)cn1
Show InChI InChI=1S/C19H28N8O2/c1-3-5-7-21-9-13-10-23-14(11-22-13)12-27-17-15(24-19(27)28)16(20)25-18(26-17)29-8-6-4-2/h10-11,21H,3-9,12H2,1-2H3,(H,24,28)(H2,20,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 420n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds diluted in DMSO were transferred to individual wells of a Matrix Technologies clear, V-bottom 384-well plate using ECHO acoustic liquid han...


US Patent US10919895 (2021)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM483325
PNG
(US10919895, Compound Ia-09)
Show SMILES CCCCNCc1cnc(Cn2c(O)nc3c(N)nc(OCCCC)nc23)cn1
Show InChI InChI=1S/C19H28N8O2/c1-3-5-7-21-9-13-10-23-14(11-22-13)12-27-17-15(24-19(27)28)16(20)25-18(26-17)29-8-6-4-2/h10-11,21H,3-9,12H2,1-2H3,(H,24,28)(H2,20,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 89n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Engineered human embryonic kidney blue cells (HEK-Blue™ TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) ...


US Patent US10919895 (2021)

More data for this
Ligand-Target Pair