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Compile Data Set for Download or QSAR

Found 1 hit of ec50 for monomerid = 50247800   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Capsid protein


(Hepatitis B virus)		BDBM50247800
PNG
(CHEMBL4068707)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ncc(OC)s1 |c:5,16|
Show InChI InChI=1S/C22H24BrFN4O4S/c1-3-32-22(29)18-16(12-28-6-8-31-9-7-28)26-20(21-25-11-17(30-2)33-21)27-19(18)14-5-4-13(24)10-15(14)23/h4-5,10-11,19H,3,6-9,12H2,1-2H3,(H,26,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.64E+4n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...

Bioorg Med Chem 25: 1042-1056 (2017)


Article DOI: 10.1016/j.bmc.2016.12.017
BindingDB Entry DOI: 10.7270/Q2ZC85F1
More data for this
Ligand-Target Pair