Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 282.3 BDBM50125805

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)	BDBM50125805 ((3Z)-5-isobutyl-1-(methoxymethoxy)-3-(2-methylprop...) Show SMILES COCOn1c(=O)c(=CC(C)C)[nH]c(=CC(C)C)c1=O |w:8.8,14.14| Show InChI InChI=1S/C14H22N2O4/c1-9(2)6-11-13(17)16(20-8-19-5)14(18)12(15-11)7-10(3)4/h6-7,9-10,15H,8H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cap 1 ALMV primed Influenza transcriptase				J Org Chem 66: 5504-16 (2001) BindingDB Entry DOI: 10.7270/Q298882D
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50125805 ((3Z)-5-isobutyl-1-(methoxymethoxy)-3-(2-methylprop...) Show SMILES COCOn1c(=O)c(=CC(C)C)[nH]c(=CC(C)C)c1=O |w:8.8,14.14| Show InChI InChI=1S/C14H22N2O4/c1-9(2)6-11-13(17)16(20-8-19-5)14(18)12(15-11)7-10(3)4/h6-7,9-10,15H,8H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Discovery Welwyn Curated by ChEMBL					Assay Description Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNP				J Med Chem 46: 1153-64 (2003) Article DOI: 10.1021/jm020334u BindingDB Entry DOI: 10.7270/Q22J6B6V
					More data for this Ligand-Target Pair