BDBM50079788 CHEMBL3414786

SMILES: COc1ccc(cc1)-c1cc(NC(=O)N[C@H](C(O)=O)c2ccc(O)cc2)c(s1)C(O)=O

InChI Key: InChIKey=QDJPZXKTPYTUQX-KRWDZBQOSA-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 = 50079788   

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)	BDBM50079788 (CHEMBL3414786) Show SMILES COc1ccc(cc1)-c1cc(NC(=O)N[C@H](C(O)=O)c2ccc(O)cc2)c(s1)C(O)=O |r| Show InChI InChI=1S/C21H18N2O7S/c1-30-14-8-4-11(5-9-14)16-10-15(18(31-16)20(27)28)22-21(29)23-17(19(25)26)12-2-6-13(24)7-3-12/h2-10,17,24H,1H3,(H,25,26)(H,27,28)(H2,22,23,29)/t17-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+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