BDBM50406468 CHEMBL4169564

SMILES: CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O

InChI Key: InChIKey=VMGSYFSQLSPXQM-UHFFFAOYSA-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 = 50406468   

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
Receptor-histidine kinase AgrC (Staphylococcus aureus)	BDBM50406468 (CHEMBL4169564) Show SMILES CCCCCCC(=O)N[C@@H]1CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O |r| Show InChI InChI=1S/C21H22N6O6/c1-27(13-8-14-17(23-9-13)25-21(22)26-19(14)31)10-11-2-4-12(5-3-11)18(30)24-15(20(32)33)6-7-16(28)29/h2-5,8-9,15H,6-7,10H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,22,23,25,26,31)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of AIP-stimulated quorum sensing system AgrC activation in Staphylococcus aureus RN10829 harboring P3:blaZ fusion assessed as reduction in...				Eur J Med Chem 152: 370-376 (2018) Article DOI: 10.1016/j.ejmech.2018.04.053 BindingDB Entry DOI: 10.7270/Q2JM2D66
					More data for this Ligand-Target Pair