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SMILES: COc1cc-2c(cc1OCCCCCCN)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21

InChI Key: InChIKey=FOSUBMXORBSZKM-GYCJOSAFSA-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 = 246833   
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)		BDBM246833
PNG
(Cis-11-((6-aminohexyl)oxy)-10-methoxy-3,3-dimethyl...)
Show SMILES COc1cc-2c(cc1OCCCCCCN)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21 |r|
Show InChI InChI=1S/C26H34N2O5/c1-26(2)9-8-16-17-12-23(33-11-7-5-4-6-10-27)22(32-3)13-18(17)20-14-21(29)19(25(30)31)15-28(20)24(16)26/h12-16,24H,4-11,27H2,1-3H3,(H,30,31)/t16-,24+/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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