Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 289.2 BDBM50536108

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Polymerase acidic protein (Hepatitis C virus)	BDBM50536108 (CHEMBL4548106) Show SMILES COc1cccc(CNC(=O)c2c(C)occ(O)c2=O)c1 Show InChI InChI=1S/C15H15NO5/c1-9-13(14(18)12(17)8-21-9)15(19)16-7-10-4-3-5-11(6-10)20-2/h3-6,8,17H,7H2,1-2H3,(H,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2W95DPM
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50536108 (CHEMBL4548106) Show SMILES COc1cccc(CNC(=O)c2c(C)occ(O)c2=O)c1 Show InChI InChI=1S/C15H15NO5/c1-9-13(14(18)12(17)8-21-9)15(19)16-7-10-4-3-5-11(6-10)20-2/h3-6,8,17H,7H2,1-2H3,(H,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2W95DPM
					More data for this Ligand-Target Pair