BDBM50465706 CHEMBL4284314

SMILES: O=C(N[C@H]1CCOC1=O)c1ccc(cc1)-n1cc(CSc2ccccc2)nn1

InChI Key: InChIKey=HPHORILQWKDZGJ-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 = 50465706   

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
Transcriptional activator protein lasR (Pseudomonas aeruginosa)	BDBM50465706 (CHEMBL4284314) Show SMILES O=C(N[C@H]1CCOC1=O)c1ccc(cc1)-n1cc(CSc2ccccc2)nn1 |r| Show InChI InChI=1S/C20H18N4O3S/c25-19(21-18-10-11-27-20(18)26)14-6-8-16(9-7-14)24-12-15(22-23-24)13-28-17-4-2-1-3-5-17/h1-9,12,18H,10-11,13H2,(H,21,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at LasR in Pseudomonas aeruginosa reporter strain				J Med Chem 61: 10385-10402 (2018) Article DOI: 10.1021/acs.jmedchem.8b00540 BindingDB Entry DOI: 10.7270/Q2XP77NZ
					More data for this Ligand-Target Pair