BDBM50512170 CHEMBL4518045

SMILES: CCCCCCCCCc1nc2cc(Cl)ccc2c(=O)n1N

InChI Key: InChIKey=PLTFJOYTWYIUIG-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50512170   

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 regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50512170 (CHEMBL4518045) Show SMILES CCCCCCCCCc1nc2cc(Cl)ccc2c(=O)n1N Show InChI InChI=1S/C17H24ClN3O/c1-2-3-4-5-6-7-8-9-16-20-15-12-13(18)10-11-14(15)17(22)21(16)19/h10-12H,2-9,19H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Antagonist activity at His6 -tagged Pseudomonas aeruginosa PqsR CBD domain expressed in Escherichia coli Rosetta 2 (DE3)				Eur J Med Chem 172: 26-35 (2019) Article DOI: 10.1016/j.ejmech.2019.03.049
					More data for this Ligand-Target Pair				3D Structure (crystal)