Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 274.2 BDBM50125809

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)	BDBM50125809 (3-(4-Fluoro-benzylidene)-5-isobutyl-3H-pyrazine-2,...) Show SMILES CC(C)C=c1[nH]c(=Cc2ccc(F)cc2)c(=O)[nH]c1=O |w:7.7,3.2| Show InChI InChI=1S/C15H15FN2O2/c1-9(2)7-12-14(19)18-15(20)13(17-12)8-10-3-5-11(16)6-4-10/h3-9,17H,1-2H3,(H,18,19,20)	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)	BDBM50125809 (3-(4-Fluoro-benzylidene)-5-isobutyl-3H-pyrazine-2,...) Show SMILES CC(C)C=c1[nH]c(=Cc2ccc(F)cc2)c(=O)[nH]c1=O |w:7.7,3.2| Show InChI InChI=1S/C15H15FN2O2/c1-9(2)7-12-14(19)18-15(20)13(17-12)8-10-3-5-11(16)6-4-10/h3-9,17H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.65E+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