BDBM50512172 CHEMBL4453677

SMILES: CCCCCCS(=O)(=O)c1nccc(n1)-n1ccnn1

InChI Key: InChIKey=PHWGGCNWMMXSFK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50512172   

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)	BDBM50512172 (CHEMBL4453677) Show SMILES CCCCCCS(=O)(=O)c1nccc(n1)-n1ccnn1 Show InChI InChI=1S/C12H17N5O2S/c1-2-3-4-5-10-20(18,19)12-13-7-6-11(15-12)17-9-8-14-16-17/h6-9H,2-5,10H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PqsD				Eur J Med Chem 172: 26-35 (2019) Article DOI: 10.1016/j.ejmech.2019.03.049
					More data for this Ligand-Target Pair
Transcriptional regulator MvfR (Pseudomonas aeruginosa PA14)	BDBM50512172 (CHEMBL4453677) Show SMILES CCCCCCS(=O)(=O)c1nccc(n1)-n1ccnn1 Show InChI InChI=1S/C12H17N5O2S/c1-2-3-4-5-10-20(18,19)12-13-7-6-11(15-12)17-9-8-14-16-17/h6-9H,2-5,10H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mashhad University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PqsR				Eur J Med Chem 172: 26-35 (2019) Article DOI: 10.1016/j.ejmech.2019.03.049
					More data for this Ligand-Target Pair