Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 289.2 BDBM50385516

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)	BDBM50385516 (CHEMBL2040570) Show SMILES CCCCNC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1 Show InChI InChI=1S/C13H15N5O3/c1-2-3-4-16-12(20)9-10(19)13(21)18-11(17-9)8-7-14-5-6-15-8/h5-7,19H,2-4H2,1H3,(H,16,20)(H,17,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Binding affinity to PA N-terminal domain (Competitive)				ACS Chem Biol 7: 526-34 (2012) Article DOI: 10.1021/cb200439z BindingDB Entry DOI: 10.7270/Q2JQ121G
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50385516 (CHEMBL2040570) Show SMILES CCCCNC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1 Show InChI InChI=1S/C13H15N5O3/c1-2-3-4-16-12(20)9-10(19)13(21)18-11(17-9)8-7-14-5-6-15-8/h5-7,19H,2-4H2,1H3,(H,16,20)(H,17,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.81E+4	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Plaque growth inhibition				ACS Chem Biol 7: 526-34 (2012) Article DOI: 10.1021/cb200439z BindingDB Entry DOI: 10.7270/Q2JQ121G
					More data for this Ligand-Target Pair