Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 341.2 BDBM50385486

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)	BDBM50385486 (CHEMBL2040576) Show SMILES Oc1c(nc([nH]c1=O)-c1cnccn1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C16H12FN5O3/c17-10-3-1-9(2-4-10)7-20-15(24)12-13(23)16(25)22-14(21-12)11-8-18-5-6-19-11/h1-6,8,23H,7H2,(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	1.20E+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)	BDBM50385486 (CHEMBL2040576) Show SMILES Oc1c(nc([nH]c1=O)-c1cnccn1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C16H12FN5O3/c17-10-3-1-9(2-4-10)7-20-15(24)12-13(23)16(25)22-14(21-12)11-8-18-5-6-19-11/h1-6,8,23H,7H2,(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	3.70E+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