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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 50237769   
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)
BDBM50237769
PNG
(CHEMBL4064672)
Show SMILES COC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,18|
Show InChI InChI=1S/C21H20ClFN4O5S/c1-31-21(30)16-14(9-27-5-6-32-10-15(27)20(28)29)25-18(19-24-4-7-33-19)26-17(16)12-3-2-11(23)8-13(12)22/h2-4,7-8,15,17H,5-6,9-10H2,1H3,(H,25,26)(H,28,29)/t15-,17-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of capsid in HBV infected in human HepG.2.2.15 cells assessed as reduction of HBV DNA incubated for 5 days by quantitative PCR analysis


J Med Chem 62: 10352-10361 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01421
BindingDB Entry DOI: 10.7270/Q2V69P21
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus)
BDBM50237769
PNG
(CHEMBL4064672)
Show SMILES COC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,18|
Show InChI InChI=1S/C21H20ClFN4O5S/c1-31-21(30)16-14(9-27-5-6-32-10-15(27)20(28)29)25-18(19-24-4-7-33-19)26-17(16)12-3-2-11(23)8-13(12)22/h2-4,7-8,15,17H,5-6,9-10H2,1H3,(H,25,26)(H,28,29)/t15-,17-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of capsid in HBV infected in human HepG.2.2.15 cells assessed as reduction of HBV DNA incubated for 5 days by quantitative PCR analysis


J Med Chem 62: 10352-10361 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01421
BindingDB Entry DOI: 10.7270/Q2V69P21
More data for this
Ligand-Target Pair