Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 178.1 BDBM36438Purchase

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
Beta-lactamase (Escherichia coli)	BDBM36438 (CID25181258 | ZINC04401406, 2) Show SMILES O=C1CCCC(Nc2nn[n-]n2)=C1 |c:12| Show InChI InChI=1S/C7H9N5O/c13-6-3-1-2-5(4-6)8-7-9-11-12-10-7/h4H,1-3H2,(H2,8,9,10,11,12,13)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
University of California, San Francisco					Assay Description Class C Beta-lactamase AmpC inhibition assay				Nat Chem Biol 5: 358-64 (2009) Article DOI: 10.1038/nchembio.155 BindingDB Entry DOI: 10.7270/Q24M92WZ
					More data for this Ligand-Target Pair
Beta-lactamase CTX-M-1 (Escherichia coli)	BDBM36438 (CID25181258 | ZINC04401406, 2) Show SMILES O=C1CCCC(Nc2nn[n-]n2)=C1 |c:12| Show InChI InChI=1S/C7H9N5O/c13-6-3-1-2-5(4-6)8-7-9-11-12-10-7/h4H,1-3H2,(H2,8,9,10,11,12,13)/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
University of California, San Francisco					Assay Description Class A Beta-lactamase CTX-M inhibition assay				Nat Chem Biol 5: 358-64 (2009) Article DOI: 10.1038/nchembio.155 BindingDB Entry DOI: 10.7270/Q24M92WZ
					More data for this Ligand-Target Pair