BDBM50151873 2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-hydroxy-propionylamino}-N-[9-benzyl-6-sec-butyl-12-ethyl-3-(2-methylsulfanyl-ethyl)-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetraaza-cyclohexadec-15-yl]-3-hydroxy-butyramide::CHEMBL183830

SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O

InChI Key: InChIKey=BOWAMPLNHPWOMR-SRJDLDIISA-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 = 50151873   

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)	BDBM50151873 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C43H62N8O11S2/c1-6-23(3)34-41(60)46-30(17-18-63-5)43(62)64-22-33(40(59)45-29(7-2)37(56)47-31(38(57)50-34)20-25-11-9-8-10-12-25)49-42(61)35(24(4)53)51-39(58)32(21-52)48-36(55)28(44)19-26-13-15-27(54)16-14-26/h8-16,23-24,28-35,52-54H,6-7,17-22,44H2,1-5H3,(H,45,59)(H,46,60)(H,47,56)(H,48,55)(H,49,61)(H,50,57)(H,51,58)/t23-,24+,28-,29?,30+,31+,32-,33-,34-,35-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	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)	BDBM50151873 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC)NC(=O)[C@H](CSC(=O)[C@@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C43H62N8O11S2/c1-6-23(3)34-41(60)46-30(17-18-63-5)43(62)64-22-33(40(59)45-29(7-2)37(56)47-31(38(57)50-34)20-25-11-9-8-10-12-25)49-42(61)35(24(4)53)51-39(58)32(21-52)48-36(55)28(44)19-26-13-15-27(54)16-14-26/h8-16,23-24,28-35,52-54H,6-7,17-22,44H2,1-5H3,(H,45,59)(H,46,60)(H,47,56)(H,48,55)(H,49,61)(H,50,57)(H,51,58)/t23-,24+,28-,29?,30+,31+,32-,33-,34-,35-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	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