BDBM50079657 CHEMBL3414803

SMILES: OCc1ccc(cc1)-c1cccc(c1)-c1cc(NC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(s1)C(O)=O

InChI Key: InChIKey=QQXCZIGTHLEUAQ-QHCPKHFHSA-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 = 50079657   

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)	BDBM50079657 (CHEMBL3414803) Show SMILES OCc1ccc(cc1)-c1cccc(c1)-c1cc(NC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(s1)C(O)=O |r| Show InChI InChI=1S/C28H24N2O6S/c31-16-18-9-11-19(12-10-18)20-7-4-8-21(14-20)24-15-22(25(37-24)27(34)35)29-28(36)30-23(26(32)33)13-17-5-2-1-3-6-17/h1-12,14-15,23,31H,13,16H2,(H,32,33)(H,34,35)(H2,29,30,36)/t23-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.94E+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
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