BDBM50079636 CHEMBL2413670

SMILES: OC(c1ccccc1)c1ccccc1[N+]([O-])=O

InChI Key: InChIKey=AIHHQWUKHCUKLJ-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 50079636   

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
2-heptyl-4(1H)-quinolone synthase PqsD (Pseudomonas aeruginosa)	BDBM50079636 (CHEMBL2413670) Show SMILES OC(c1ccccc1)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C13H11NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,13,15H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of recombinant His6-tagged Pseudomonas aeruginosa PqsD expressed in Escherichia coli BL21 (deltaDE3) using anthraniloyl-CoA/beta-ketodecan...				Eur J Med Chem 96: 14-21 (2015) Article DOI: 10.1016/j.ejmech.2015.04.007 BindingDB Entry DOI: 10.7270/Q2ZS2Z7Q
					More data for this Ligand-Target Pair
2-heptyl-4(1H)-quinolone synthase PqsD (Pseudomonas aeruginosa)	BDBM50079636 (CHEMBL2413670) Show SMILES OC(c1ccccc1)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C13H11NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,13,15H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Binding affinity to recombinant Pseudomonas aeruginosa PqsD at 298 K by ITC assay				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair
2-heptyl-4(1H)-quinolone synthase PqsD (Pseudomonas aeruginosa)	BDBM50079636 (CHEMBL2413670) Show SMILES OC(c1ccccc1)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C13H11NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,13,15H	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant Pseudomonas aeruginosa PqsD expressed in Escherichia coli using anthraniloyl-CoA as substrate assessed as decrease in HHQ p...				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair