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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Capsid protein' and Ligand = 'BDBM50247734'   
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)		BDBM50247734
PNG
(CHEMBL4077161)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1cccs1 |c:5,16|
Show InChI InChI=1S/C22H23BrFN3O3S/c1-2-30-22(28)19-17(13-27-7-9-29-10-8-27)25-21(18-4-3-11-31-18)26-20(19)15-6-5-14(24)12-16(15)23/h3-6,11-12,20H,2,7-10,13H2,1H3,(H,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 69n/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