Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 337.3 BDBM50385485

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)	BDBM50385485 (CHEMBL2040575) Show SMILES Cc1ccc(CNC(=O)c2nc([nH]c(=O)c2O)-c2cnccn2)cc1 Show InChI InChI=1S/C17H15N5O3/c1-10-2-4-11(5-3-10)8-20-16(24)13-14(23)17(25)22-15(21-13)12-9-18-6-7-19-12/h2-7,9,23H,8H2,1H3,(H,20,24)(H,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10E+3	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)	BDBM50385485 (CHEMBL2040575) Show SMILES Cc1ccc(CNC(=O)c2nc([nH]c(=O)c2O)-c2cnccn2)cc1 Show InChI InChI=1S/C17H15N5O3/c1-10-2-4-11(5-3-10)8-20-16(24)13-14(23)17(25)22-15(21-13)12-9-18-6-7-19-12/h2-7,9,23H,8H2,1H3,(H,20,24)(H,21,22,25)	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	2.26E+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