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SMILES: COC(=O)C1=C(CN2CCN3[C@H](CN(CC#Cc4c(C)cc(cc4C)C#N)C3=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 520014   
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)
BDBM520014
PNG
(US11142527, Example 48)
Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(CC#Cc4c(C)cc(cc4C)C#N)C3=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,34|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6.30n/an/an/an/a


TBA

Assay Description
8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RV0RVC
More data for this
Ligand-Target Pair