Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 339.3 BDBM50452685

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

Found 1 hit 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
Calmodulin-sensitive adenylate cyclase (Bacillus anthracis)	BDBM50452685 (CHEMBL4214316) Show SMILES Nc1cc(OCCNC(=O)c2ccc(cc2)S(F)(=O)=O)ccn1 Show InChI InChI=1S/C14H14FN3O4S/c15-23(20,21)12-3-1-10(2-4-12)14(19)18-7-8-22-11-5-6-17-13(16)9-11/h1-6,9H,7-8H2,(H2,16,17)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.27E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hawaii Biotech Curated by ChEMBL					Assay Description Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for 10 to 240 mins by EnzChek pyrophosphate assay				Bioorg Med Chem Lett 28: 134-139 (2018) Article DOI: 10.1016/j.bmcl.2017.11.040 BindingDB Entry DOI: 10.7270/Q25D8VD2
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