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SMILES: COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCC(C)C

InChI Key: InChIKey=IFZQOQPKUJZQEJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 289745   
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)		BDBM289745
PNG
(US10093671, Example 14)
Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCC(C)C
Show InChI InChI=1S/C23H23NO5S/c1-13(2)12-29-21-8-14-7-18(22-5-4-6-30-22)24-11-16(23(26)27)19(25)10-17(24)15(14)9-20(21)28-3/h4-6,8-11,13,18H,7,12H2,1-3H3,(H,26,27)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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 US10093671 (2018)


BindingDB Entry DOI: 10.7270/Q21838KR
More data for this
Ligand-Target Pair