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SMILES: COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCCNC(=O)OC(C)(C)C

InChI Key: InChIKey=KJEMJFDWPBTJCF-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 1 hit for monomerid = 289752   
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)		BDBM289752
PNG
(US10093671, Example 21)
Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C30H36N2O7S/c1-30(2,3)39-29(36)31-11-7-5-6-8-12-38-26-15-19-14-23(27-10-9-13-40-27)32-18-21(28(34)35)24(33)17-22(32)20(19)16-25(26)37-4/h9-10,13,15-18,23H,5-8,11-12,14H2,1-4H3,(H,31,36)(H,34,35)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 6n/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