BDBM50151874 CHEMBL362838::Tyr-Ser-Thr-cyclo(Cys-Ala-Phe-Ile-Met)

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(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O

InChI Key: InChIKey=WNOVAKDTEBMOEZ-PNDWBDRGSA-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 = 50151874   

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)	BDBM50151874 (CHEMBL362838 | Tyr-Ser-Thr-cyclo(Cys-Ala-Phe-Ile-M...) 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(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30+,31-,32-,33-,34-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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)	BDBM50151874 (CHEMBL362838 | Tyr-Ser-Thr-cyclo(Cys-Ala-Phe-Ile-M...) 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(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30+,31-,32-,33-,34-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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)	BDBM50151874 (CHEMBL362838 | Tyr-Ser-Thr-cyclo(Cys-Ala-Phe-Ile-M...) 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(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30+,31-,32-,33-,34-/m0/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)	BDBM50151874 (CHEMBL362838 | Tyr-Ser-Thr-cyclo(Cys-Ala-Phe-Ile-M...) 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(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O Show InChI InChI=1S/C42H60N8O11S2/c1-6-22(2)33-40(59)45-29(16-17-62-5)42(61)63-21-32(39(58)44-23(3)35(54)46-30(37(56)49-33)19-25-10-8-7-9-11-25)48-41(60)34(24(4)52)50-38(57)31(20-51)47-36(55)28(43)18-26-12-14-27(53)15-13-26/h7-15,22-24,28-34,51-53H,6,16-21,43H2,1-5H3,(H,44,58)(H,45,59)(H,46,54)(H,47,55)(H,48,60)(H,49,56)(H,50,57)/t22-,23-,24+,28-,29+,30+,31-,32-,33-,34-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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
					More data for this Ligand-Target Pair