BDBM50079711 CHEMBL3414796

SMILES: OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(sc1C(O)=O)-c1ccc(O)cc1

InChI Key: InChIKey=QJVVWDMOTQLOFS-INIZCTEOSA-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 = 50079711   

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)	BDBM50079711 (CHEMBL3414796) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(sc1C(O)=O)-c1ccc(O)cc1 |r| Show InChI InChI=1S/C21H18N2O6S/c24-14-8-6-13(7-9-14)17-11-15(18(30-17)20(27)28)22-21(29)23-16(19(25)26)10-12-4-2-1-3-5-12/h1-9,11,16,24H,10H2,(H,25,26)(H,27,28)(H2,22,23,29)/t16-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+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