BDBM50498379 CHEMBL3594256

SMILES: [O-][N+](=O)c1cccc(NCc2ccc3OCOc3c2)c1

InChI Key: InChIKey=ZWBFXQHQQBRJCG-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 = 50498379   

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
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50498379 (CHEMBL3594256) Show SMILES [O-][N+](=O)c1cccc(NCc2ccc3OCOc3c2)c1 Show InChI InChI=1S/C14H12N2O4/c17-16(18)12-3-1-2-11(7-12)15-8-10-4-5-13-14(6-10)20-9-19-13/h1-7,15H,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol...				Bioorg Med Chem 23: 4508-4513 (2015) Article DOI: 10.1016/j.bmc.2015.06.014 BindingDB Entry DOI: 10.7270/Q2T43X33
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM50498379 (CHEMBL3594256) Show SMILES [O-][N+](=O)c1cccc(NCc2ccc3OCOc3c2)c1 Show InChI InChI=1S/C14H12N2O4/c17-16(18)12-3-1-2-11(7-12)15-8-10-4-5-13-14(6-10)20-9-19-13/h1-7,15H,8-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jishou University Curated by ChEMBL					Assay Description Inhibition of urease in Helicobacter pylori ATCC 43504 assessed as ammonia production incubated for 1.5 hrs prior to testing by indophenol method				Bioorg Med Chem 23: 4508-4513 (2015) Article DOI: 10.1016/j.bmc.2015.06.014 BindingDB Entry DOI: 10.7270/Q2T43X33
					More data for this Ligand-Target Pair