BDBM50079696 CHEMBL3414800

SMILES: COc1ccc2C3SC(C(O)=O)=C(NC(=O)N[C@@H](Cc4ccccc4)C(O)=O)C3CCc2c1

InChI Key: InChIKey=GQBBINCLLKVUPP-FDYSRKEFSA-N

Data: 1 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 1 hit for monomerid = 50079696   

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)	BDBM50079696 (CHEMBL3414800) Show SMILES COc1ccc2C3SC(C(O)=O)=C(NC(=O)N[C@@H](Cc4ccccc4)C(O)=O)C3CCc2c1 |r,t:11| Show InChI InChI=1S/C24H24N2O6S/c1-32-15-8-10-16-14(12-15)7-9-17-19(21(23(29)30)33-20(16)17)26-24(31)25-18(22(27)28)11-13-5-3-2-4-6-13/h2-6,8,10,12,17-18,20H,7,9,11H2,1H3,(H,27,28)(H,29,30)(H2,25,26,31)/t17?,18-,20?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.37E+4	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