BDBM50151871 2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-hydroxy-propionylamino}-N-(3-benzyl-9,12-bis-hydroxymethyl-6-isobutyl-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetraaza-cyclohexadec-15-yl)-3-hydroxy-butyramide::CHEMBL359961

SMILES: CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CSC(=O)[C@H](Cc2ccccc2)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=XGDDIYHUJYWFFZ-NBPZMBJASA-N

Data: 4 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 4 hits for monomerid = 50151871   

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)	BDBM50151871 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CSC(=O)[C@H](Cc2ccccc2)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/C40H56N8O13S/c1-20(2)13-26-34(55)43-27(15-22-7-5-4-6-8-22)40(61)62-19-31(38(59)46-29(17-50)36(57)45-28(16-49)35(56)42-26)47-39(60)32(21(3)52)48-37(58)30(18-51)44-33(54)25(41)14-23-9-11-24(53)12-10-23/h4-12,20-21,25-32,49-53H,13-19,41H2,1-3H3,(H,42,56)(H,43,55)(H,44,54)(H,45,57)(H,46,59)(H,47,60)(H,48,58)/t21-,25+,26-,27+,28+,29-,30+,31-,32+/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	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)	BDBM50151871 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CSC(=O)[C@H](Cc2ccccc2)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/C40H56N8O13S/c1-20(2)13-26-34(55)43-27(15-22-7-5-4-6-8-22)40(61)62-19-31(38(59)46-29(17-50)36(57)45-28(16-49)35(56)42-26)47-39(60)32(21(3)52)48-37(58)30(18-51)44-33(54)25(41)14-23-9-11-24(53)12-10-23/h4-12,20-21,25-32,49-53H,13-19,41H2,1-3H3,(H,42,56)(H,43,55)(H,44,54)(H,45,57)(H,46,59)(H,47,60)(H,48,58)/t21-,25+,26-,27+,28+,29-,30+,31-,32+/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	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)	BDBM50151871 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CSC(=O)[C@H](Cc2ccccc2)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/C40H56N8O13S/c1-20(2)13-26-34(55)43-27(15-22-7-5-4-6-8-22)40(61)62-19-31(38(59)46-29(17-50)36(57)45-28(16-49)35(56)42-26)47-39(60)32(21(3)52)48-37(58)30(18-51)44-33(54)25(41)14-23-9-11-24(53)12-10-23/h4-12,20-21,25-32,49-53H,13-19,41H2,1-3H3,(H,42,56)(H,43,55)(H,44,54)(H,45,57)(H,46,59)(H,47,60)(H,48,58)/t21-,25+,26-,27+,28+,29-,30+,31-,32+/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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)	BDBM50151871 (2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]...) Show SMILES CC(C)C[C@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CSC(=O)[C@H](Cc2ccccc2)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/C40H56N8O13S/c1-20(2)13-26-34(55)43-27(15-22-7-5-4-6-8-22)40(61)62-19-31(38(59)46-29(17-50)36(57)45-28(16-49)35(56)42-26)47-39(60)32(21(3)52)48-37(58)30(18-51)44-33(54)25(41)14-23-9-11-24(53)12-10-23/h4-12,20-21,25-32,49-53H,13-19,41H2,1-3H3,(H,42,56)(H,43,55)(H,44,54)(H,45,57)(H,46,59)(H,47,60)(H,48,58)/t21-,25+,26-,27+,28+,29-,30+,31-,32+/m1/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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