BDBM50151877 CHEMBL182114::N-[9-Benzyl-6-sec-butyl-12-methyl-3-(2-methylsulfanyl-ethyl)-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetraaza-cyclohexadec-15-yl]-acetamide

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

InChI Key: InChIKey=IOIXQYBEGXEBIV-RJFPACLCSA-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 = 50151877   

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)	BDBM50151877 (CHEMBL182114 | N-[9-Benzyl-6-sec-butyl-12-methyl-3...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(C)=O Show InChI InChI=1S/C28H41N5O6S2/c1-6-16(2)23-27(38)31-20(12-13-40-5)28(39)41-15-22(30-18(4)34)26(37)29-17(3)24(35)32-21(25(36)33-23)14-19-10-8-7-9-11-19/h7-11,16-17,20-23H,6,12-15H2,1-5H3,(H,29,37)(H,30,34)(H,31,38)(H,32,35)(H,33,36)/t16-,17-,20+,21+,22-,23-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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
					More data for this Ligand-Target Pair
Receptor-histidine kinase AgrC (Staphylococcus aureus)	BDBM50151877 (CHEMBL182114 | N-[9-Benzyl-6-sec-butyl-12-methyl-3...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(C)=O Show InChI InChI=1S/C28H41N5O6S2/c1-6-16(2)23-27(38)31-20(12-13-40-5)28(39)41-15-22(30-18(4)34)26(37)29-17(3)24(35)32-21(25(36)33-23)14-19-10-8-7-9-11-19/h7-11,16-17,20-23H,6,12-15H2,1-5H3,(H,29,37)(H,30,34)(H,31,38)(H,32,35)(H,33,36)/t16-,17-,20+,21+,22-,23-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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
					More data for this Ligand-Target Pair