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SMILES: COCCOCc1cc2[C@@H]3COCC[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC

InChI Key: InChIKey=GGKMMGKBYIJVNO-ZWKOTPCHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 246842   
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
Large envelope protein


(Hepatitis B virus)		BDBM246842
PNG
(Trans-11-methoxy-12-(3-methoxypropoxy)-8-oxo-1,3,4...)
Show SMILES COCCOCc1cc2[C@@H]3COCC[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC |r|
Show InChI InChI=1S/C22H25NO7/c1-27-5-6-30-11-13-7-14-15(8-21(13)28-2)19-9-20(24)16(22(25)26)10-23(19)18-3-4-29-12-17(14)18/h7-10,17-18H,3-6,11-12H2,1-2H3,(H,25,26)/t17-,18+/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 265n/an/an/an/an/a25



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...

US Patent US10053461 (2018)


BindingDB Entry DOI: 10.7270/Q2Q81G3D
More data for this
Ligand-Target Pair