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SMILES: CCCCOc1nc(N)c2nc(O)n(Cc3ccc(CNCc4ccccc4)cn3)c2n1

InChI Key: InChIKey=OGJBRJWIZNSCLX-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 = 483334   
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))
BDBM483334
PNG
(US10919895, Compound Ib-06)
Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc(CNCc4ccccc4)cn3)c2n1
Show InChI InChI=1S/C23H27N7O2/c1-2-3-11-32-22-28-20(24)19-21(29-22)30(23(31)27-19)15-18-10-9-17(14-26-18)13-25-12-16-7-5-4-6-8-16/h4-10,14,25H,2-3,11-13,15H2,1H3,(H,27,31)(H2,24,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 190n/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))
BDBM483334
PNG
(US10919895, Compound Ib-06)
Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc(CNCc4ccccc4)cn3)c2n1
Show InChI InChI=1S/C23H27N7O2/c1-2-3-11-32-22-28-20(24)19-21(29-22)30(23(31)27-19)15-18-10-9-17(14-26-18)13-25-12-16-7-5-4-6-8-16/h4-10,14,25H,2-3,11-13,15H2,1H3,(H,27,31)(H2,24,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 22n/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