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SMILES: COc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3ccc(cc3)C3CN4CCC3CC4)c2n1

InChI Key: InChIKey=OMRJSHXWBUUQRV-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 450048   
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 7


(Homo sapiens (Human))		BDBM450048
PNG
(9-[4-(1-Azabicyclo[2.2.2]oct-3-yl)benzyl]-8-(5-flu...)
Show SMILES COc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3ccc(cc3)C3CN4CCC3CC4)c2n1 |(-6.59,-6.21,;-5.41,-7.2,;-4.08,-6.43,;-4.08,-4.89,;-2.74,-4.12,;-2.74,-2.58,;-1.41,-4.89,;.05,-4.41,;.96,-5.66,;2.5,-5.66,;3.27,-6.99,;4.81,-6.99,;5.58,-5.66,;4.81,-4.33,;5.58,-2.99,;3.27,-4.33,;.05,-6.91,;.82,-8.24,;2.31,-8.64,;3.4,-7.55,;4.89,-7.95,;5.29,-9.44,;4.2,-10.52,;2.71,-10.13,;6.77,-9.83,;7.17,-11.32,;8.66,-11.72,;9.75,-10.63,;9.35,-9.14,;7.86,-8.74,;7.86,-10.28,;8.66,-10.18,;-1.41,-6.43,;-2.74,-7.2,)|
Show InChI InChI=1S/C26H27FN6O/c1-16-23-25(31-26(29-16)34-2)33(24(30-23)20-11-21(27)13-28-12-20)14-17-3-5-18(6-4-17)22-15-32-9-7-19(22)8-10-32/h3-6,11-13,19,22H,7-10,14-15H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
As human TLR7 expressing cell line, HEK293 cell line was bought from IMGENEX Corporation (TLR7/NF-ηB/SEAPorter™ HEK293 cell), which is human emb...

US Patent US10703755 (2020)


BindingDB Entry DOI: 10.7270/Q28W3HBW
More data for this
Ligand-Target Pair