Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 343.3 BDBM50385493

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)	BDBM50385493 (CHEMBL2040583) Show SMILES C[C@@H](NC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1)C1CCCCC1 Show InChI InChI=1S/C17H21N5O3/c1-10(11-5-3-2-4-6-11)20-16(24)13-14(23)17(25)22-15(21-13)12-9-18-7-8-19-12/h7-11,23H,2-6H2,1H3,(H,20,24)(H,21,22,25)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39E+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)	BDBM50385493 (CHEMBL2040583) Show SMILES C[C@@H](NC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1)C1CCCCC1 Show InChI InChI=1S/C17H21N5O3/c1-10(11-5-3-2-4-6-11)20-16(24)13-14(23)17(25)22-15(21-13)12-9-18-7-8-19-12/h7-11,23H,2-6H2,1H3,(H,20,24)(H,21,22,25)/t10-/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	4.85E+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