BindingDB logo
myBDB logout

null

SMILES: CCOC(=O)CCCOc1cc2[C@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC

InChI Key: InChIKey=LXJNVVLHJMSTJD-MYYSRTQBSA-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 1 hit for monomerid = 246827   
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)		BDBM246827
PNG
(Cis-11-(4-ethoxy-4-oxobutoxy)-10-methoxy-3,3-dimet...)
Show SMILES CCOC(=O)CCCOc1cc2[C@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC |r|
Show InChI InChI=1S/C26H31NO7/c1-5-33-23(29)7-6-10-34-22-11-16-15-8-9-26(2,3)24(15)27-14-18(25(30)31)20(28)13-19(27)17(16)12-21(22)32-4/h11-15,24H,5-10H2,1-4H3,(H,30,31)/t15-,24+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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