Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 353.3 BDBM50385494

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)	BDBM50385494 (CHEMBL2040584) Show SMILES OC[C@@H](NC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1)c1ccccc1 Show InChI InChI=1S/C17H15N5O4/c23-9-12(10-4-2-1-3-5-10)20-16(25)13-14(24)17(26)22-15(21-13)11-8-18-6-7-19-11/h1-8,12,23-24H,9H2,(H,20,25)(H,21,22,26)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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)	BDBM50385494 (CHEMBL2040584) Show SMILES OC[C@@H](NC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1)c1ccccc1 Show InChI InChI=1S/C17H15N5O4/c23-9-12(10-4-2-1-3-5-10)20-16(25)13-14(24)17(26)22-15(21-13)11-8-18-6-7-19-11/h1-8,12,23-24H,9H2,(H,20,25)(H,21,22,26)/t12-/m1/s1	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	3.50E+3	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