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SMILES: CCCCOc1nc(N)c2nc(O)n(Cc3ccc(Oc4ccc(CNC5CC(F)(F)C5)cc4)nc3)c2n1

InChI Key: InChIKey=RIEZFIFOQHBODC-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 = 423491   
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))
BDBM423491
PNG
(US10508115, Compound Ib-10)
Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc(Oc4ccc(CNC5CC(F)(F)C5)cc4)nc3)c2n1
Show InChI InChI=1S/C26H29F2N7O3/c1-2-3-10-37-24-33-22(29)21-23(34-24)35(25(36)32-21)15-17-6-9-20(31-14-17)38-19-7-4-16(5-8-19)13-30-18-11-26(27,28)12-18/h4-9,14,18,30H,2-3,10-13,15H2,1H3,(H,32,36)(H2,29,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 14.3n/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 US10508115 (2019)


BindingDB Entry DOI: 10.7270/Q2K35X2W
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM423491
PNG
(US10508115, Compound Ib-10)
Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc(Oc4ccc(CNC5CC(F)(F)C5)cc4)nc3)c2n1
Show InChI InChI=1S/C26H29F2N7O3/c1-2-3-10-37-24-33-22(29)21-23(34-24)35(25(36)32-21)15-17-6-9-20(31-14-17)38-19-7-4-16(5-8-19)13-30-18-11-26(27,28)12-18/h4-9,14,18,30H,2-3,10-13,15H2,1H3,(H,32,36)(H2,29,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.30n/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 US10508115 (2019)


BindingDB Entry DOI: 10.7270/Q2K35X2W
More data for this
Ligand-Target Pair