BDBM50030318 CHEMBL3343824

SMILES: Oc1c(cc(cc1[N+]([O-])=O)S(=O)(=O)c1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChI Key: InChIKey=NYUQRXIIWRWVSM-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50030318   

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
Salicylate synthetase, Irp9 (Yersinia enterocolitica)	BDBM50030318 (CHEMBL3343824) Show SMILES Oc1c(cc(cc1[N+]([O-])=O)S(=O)(=O)c1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C12H6N4O12S/c17-11-7(13(19)20)1-5(2-8(11)14(21)22)29(27,28)6-3-9(15(23)24)12(18)10(4-6)16(25)26/h1-4,17-18H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of Yersinia enterocolitica Irp9 using chorismate as substrate assessed as salicylate production by fluorescence spectrometry				Bioorg Med Chem 22: 5961-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.010 BindingDB Entry DOI: 10.7270/Q2PC340D
					More data for this Ligand-Target Pair
P-protein (Escherichia coli (strain K12))	BDBM50030318 (CHEMBL3343824) Show SMILES Oc1c(cc(cc1[N+]([O-])=O)S(=O)(=O)c1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C12H6N4O12S/c17-11-7(13(19)20)1-5(2-8(11)14(21)22)29(27,28)6-3-9(15(23)24)12(18)10(4-6)16(25)26/h1-4,17-18H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance ...				Bioorg Med Chem 22: 5961-9 (2014) Article DOI: 10.1016/j.bmc.2014.09.010 BindingDB Entry DOI: 10.7270/Q2PC340D
					More data for this Ligand-Target Pair