BDBM50444770 CHEMBL3099017

SMILES: Oc1ccc(cc1O)C(=O)N[N-][CH+]c1cc(ccc1O)[N+]([O-])=O

InChI Key: InChIKey=WSHKXRJHCVDAHH-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50444770   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Antrax lethal toxin (Bacillus anthracis)	BDBM50444770 (CHEMBL3099017) Show SMILES Oc1ccc(cc1O)C(=O)N[N-][CH+]c1cc(ccc1O)[N+]([O-])=O Show InChI InChI=1S/C14H11N3O6/c18-11-4-2-10(17(22)23)5-9(11)7-15-16-14(21)8-1-3-12(19)13(20)6-8/h1-7,18,20H,(H2,16,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Microbiotix, Inc. Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis lethal factor				Bioorg Med Chem 22: 419-34 (2013) Article DOI: 10.1016/j.bmc.2013.11.009 BindingDB Entry DOI: 10.7270/Q2QV3NZ9
					More data for this Ligand-Target Pair