BDBM50079773 CHEMBL3414787

SMILES: COc1ccc(cc1)[C@H](NC(=O)Nc1cc(sc1C(O)=O)-c1ccc(OC)cc1)C(O)=O

InChI Key: InChIKey=FXOPHYMTZNLCBI-SFHVURJKSA-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 = 50079773   

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)	BDBM50079773 (CHEMBL3414787) Show SMILES COc1ccc(cc1)[C@H](NC(=O)Nc1cc(sc1C(O)=O)-c1ccc(OC)cc1)C(O)=O |r| Show InChI InChI=1S/C22H20N2O7S/c1-30-14-7-3-12(4-8-14)17-11-16(19(32-17)21(27)28)23-22(29)24-18(20(25)26)13-5-9-15(31-2)10-6-13/h3-11,18H,1-2H3,(H,25,26)(H,27,28)(H2,23,24,29)/t18-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.13E+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