BDBM50151881 CHEMBL362839::Cyclo(Ac-Cys-Asp-Phe-Ile-Met)

SMILES: CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSC(=O)[C@H](CCSC)NC1=O)NC(C)=O

InChI Key: InChIKey=FVSSPXRBGMBSJS-IEJQXLEPSA-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 = 50151881   

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)	BDBM50151881 (CHEMBL362839 | Cyclo(Ac-Cys-Asp-Phe-Ile-Met)) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CSC(=O)[C@H](CCSC)NC1=O)NC(C)=O Show InChI InChI=1S/C29H41N5O8S2/c1-5-16(2)24-28(41)31-19(11-12-43-4)29(42)44-15-22(30-17(3)35)27(40)33-21(14-23(36)37)25(38)32-20(26(39)34-24)13-18-9-7-6-8-10-18/h6-10,16,19-22,24H,5,11-15H2,1-4H3,(H,30,35)(H,31,41)(H,32,38)(H,33,40)(H,34,39)(H,36,37)/t16-,19-,20-,21+,22+,24+/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to inhibit quorum sensor of Staphylococcus aureus				J Med Chem 47: 4633-41 (2004) Article DOI: 10.1021/jm0400754 BindingDB Entry DOI: 10.7270/Q2P26XM1
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