BindingDB logo
myBDB logout

null

SMILES: CCCCOc1nc(N)c2nc(O)n(Cc3cnc(CNC)cn3)c2n1

InChI Key: InChIKey=PVQYRCXBYBECQO-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 = 483326   
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))
BDBM483326
PNG
(US10919895, Compound Ia-10)
Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3cnc(CNC)cn3)c2n1
Show InChI InChI=1S/C16H22N8O2/c1-3-4-5-26-15-22-13(17)12-14(23-15)24(16(25)21-12)9-11-8-19-10(6-18-2)7-20-11/h7-8,18H,3-6,9H2,1-2H3,(H,21,25)(H2,17,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 570n/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))
BDBM483326
PNG
(US10919895, Compound Ia-10)
Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3cnc(CNC)cn3)c2n1
Show InChI InChI=1S/C16H22N8O2/c1-3-4-5-26-15-22-13(17)12-14(23-15)24(16(25)21-12)9-11-8-19-10(6-18-2)7-20-11/h7-8,18H,3-6,9H2,1-2H3,(H,21,25)(H2,17,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 290n/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