Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 277.2 BDBM50122445

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 (Influenza A virus (strain A/X-31 H3N2))	BDBM50122445 (CHEMBL463072) Show SMILES CCOC(=O)c1c(O)c2cc(OC)ccc2n(C)c1=O Show InChI InChI=1S/C14H15NO5/c1-4-20-14(18)11-12(16)9-7-8(19-3)5-6-10(9)15(2)13(11)17/h5-7,16H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...				ACS Med Chem Lett 6: 866-71 (2015) Article DOI: 10.1021/acsmedchemlett.5b00109 BindingDB Entry DOI: 10.7270/Q27S7QKP
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50122445 (CHEMBL463072) Show SMILES CCOC(=O)c1c(O)c2cc(OC)ccc2n(C)c1=O Show InChI InChI=1S/C14H15NO5/c1-4-20-14(18)11-12(16)9-7-8(19-3)5-6-10(9)15(2)13(11)17/h5-7,16H,4H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity by PAGE				Bioorg Med Chem 17: 2925-35 (2009) Article DOI: 10.1016/j.bmc.2008.10.088 BindingDB Entry DOI: 10.7270/Q2D50QS2
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50122445 (CHEMBL463072) Show SMILES CCOC(=O)c1c(O)c2cc(OC)ccc2n(C)c1=O Show InChI InChI=1S/C14H15NO5/c1-4-20-14(18)11-12(16)9-7-8(19-3)5-6-10(9)15(2)13(11)17/h5-7,16H,4H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3' processing activity by PAGE				Bioorg Med Chem 17: 2925-35 (2009) Article DOI: 10.1016/j.bmc.2008.10.088 BindingDB Entry DOI: 10.7270/Q2D50QS2
					More data for this Ligand-Target Pair