Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 341.3 BDBM50536144

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)	BDBM50536144 (CHEMBL4552407) Show SMILES CCOC(=O)c1c(C)n(cc(O)c1=O)-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C16H15N5O4/c1-3-25-16(24)13-9(2)21(8-12(22)14(13)23)11-6-4-10(5-7-11)15-17-19-20-18-15/h4-8,22H,3H2,1-2H3,(H,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	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)	BDBM50536144 (CHEMBL4552407) Show SMILES CCOC(=O)c1c(C)n(cc(O)c1=O)-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C16H15N5O4/c1-3-25-16(24)13-9(2)21(8-12(22)14(13)23)11-6-4-10(5-7-11)15-17-19-20-18-15/h4-8,22H,3H2,1-2H3,(H,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	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