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BDBM50536138 CHEMBL4564469

SMILES: CC(=O)N1CCC(CC1)n1cc(O)c(=O)cc1C

InChI Key: InChIKey=DVJBFIZBRIRHIU-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50536138   
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
Polymerase acidic protein


(Hepatitis C virus)
BDBM50536138
PNG
(CHEMBL4564469)
Show SMILES CC(=O)N1CCC(CC1)n1cc(O)c(=O)cc1C
Show InChI InChI=1S/C13H18N2O3/c1-9-7-12(17)13(18)8-15(9)11-3-5-14(6-4-11)10(2)16/h7-8,11,18H,3-6H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FA...


J Med Chem 59: 6444-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00628
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50536138
PNG
(CHEMBL4564469)
Show SMILES CC(=O)N1CCC(CC1)n1cc(O)c(=O)cc1C
Show InChI InChI=1S/C13H18N2O3/c1-9-7-12(17)13(18)8-15(9)11-3-5-14(6-4-11)10(2)16/h7-8,11,18H,3-6H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FA...


J Med Chem 59: 6444-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00628
More data for this
Ligand-Target Pair