Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 338.3 BDBM50091985

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
DNA polymerase catalytic subunit (Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)	BDBM50091985 (3,5-Dihydroxy-naphthalene-2-carboxylic acid 4-nitr...) Show SMILES Oc1cc2c(O)cccc2cc1C(=O)NCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H14N2O5/c21-16-3-1-2-12-8-15(17(22)9-14(12)16)18(23)19-10-11-4-6-13(7-5-11)20(24)25/h1-9,21-22H,10H2,(H,19,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase				Bioorg Med Chem Lett 10: 2079-81 (2000) BindingDB Entry DOI: 10.7270/Q2222T0M
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50091985 (3,5-Dihydroxy-naphthalene-2-carboxylic acid 4-nitr...) Show SMILES Oc1cc2c(O)cccc2cc1C(=O)NCc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H14N2O5/c21-16-3-1-2-12-8-15(17(22)9-14(12)16)18(23)19-10-11-4-6-13(7-5-11)20(24)25/h1-9,21-22H,10H2,(H,19,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Human alpha polymerase				Bioorg Med Chem Lett 10: 2079-81 (2000) BindingDB Entry DOI: 10.7270/Q2222T0M
					More data for this Ligand-Target Pair