Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 408.8 BDBM50508966

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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)	BDBM50508966 (CHEMBL4452342) Show SMILES CN(Cc1cc(=O)c(O)cn1-c1ccc(cc1)-c1nnn[nH]1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClN6O2/c1-26(15-8-4-14(21)5-9-15)11-17-10-18(28)19(29)12-27(17)16-6-2-13(3-7-16)20-22-24-25-23-20/h2-10,12,29H,11H2,1H3,(H,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FA...				J Med Chem 59: 6444-54 (2016) Article DOI: 10.1021/acs.jmedchem.6b00628 BindingDB Entry DOI: 10.7270/Q2W95DPM
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50508966 (CHEMBL4452342) Show SMILES CN(Cc1cc(=O)c(O)cn1-c1ccc(cc1)-c1nnn[nH]1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClN6O2/c1-26(15-8-4-14(21)5-9-15)11-17-10-18(28)19(29)12-27(17)16-6-2-13(3-7-16)20-22-24-25-23-20/h2-10,12,29H,11H2,1H3,(H,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FA...				J Med Chem 59: 6444-54 (2016) Article DOI: 10.1021/acs.jmedchem.6b00628 BindingDB Entry DOI: 10.7270/Q2W95DPM
					More data for this Ligand-Target Pair
Polymerase acidic protein (Hepatitis C virus)	BDBM50508966 (CHEMBL4452342) Show SMILES CN(Cc1cc(=O)c(O)cn1-c1ccc(cc1)-c1nnn[nH]1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClN6O2/c1-26(15-8-4-14(21)5-9-15)11-17-10-18(28)19(29)12-27(17)16-6-2-13(3-7-16)20-22-24-25-23-20/h2-10,12,29H,11H2,1H3,(H,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Company Curated by ChEMBL					Assay Description Inhibition of Influenza A virus CEN				J Med Chem 62: 8101-8114 (2019) Article DOI: 10.1021/acs.jmedchem.9b00861 BindingDB Entry DOI: 10.7270/Q2K35XZJ
					More data for this Ligand-Target Pair