BDBM50151880 CHEMBL426697::YSTCYFIM

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(O)=O

InChI Key: InChIKey=GPHZOMOHUGDLPM-XAQATAOCSA-N

Data: 3 IC50  1 EC50

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 = 50151880   

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)	BDBM50151880 (CHEMBL426697 | YSTCYFIM) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(O)=O Show InChI InChI=1S/C48H66N8O13S2/c1-5-26(2)39(46(66)50-34(48(68)69)19-20-71-4)55-43(63)36(22-28-9-7-6-8-10-28)51-42(62)35(23-30-13-17-32(60)18-14-30)52-45(65)38(25-70)54-47(67)40(27(3)58)56-44(64)37(24-57)53-41(61)33(49)21-29-11-15-31(59)16-12-29/h6-18,26-27,33-40,57-60,70H,5,19-25,49H2,1-4H3,(H,50,66)(H,51,62)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,64)(H,68,69)/t26-,27+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonistic concentration for accessory gene regulator C1 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)	BDBM50151880 (CHEMBL426697 | YSTCYFIM) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(O)=O Show InChI InChI=1S/C48H66N8O13S2/c1-5-26(2)39(46(66)50-34(48(68)69)19-20-71-4)55-43(63)36(22-28-9-7-6-8-10-28)51-42(62)35(23-30-13-17-32(60)18-14-30)52-45(65)38(25-70)54-47(67)40(27(3)58)56-44(64)37(24-57)53-41(61)33(49)21-29-11-15-31(59)16-12-29/h6-18,26-27,33-40,57-60,70H,5,19-25,49H2,1-4H3,(H,50,66)(H,51,62)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,64)(H,68,69)/t26-,27+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Effective concentration to antagonise accessory gene regulator C4 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)	BDBM50151880 (CHEMBL426697 | YSTCYFIM) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(O)=O Show InChI InChI=1S/C48H66N8O13S2/c1-5-26(2)39(46(66)50-34(48(68)69)19-20-71-4)55-43(63)36(22-28-9-7-6-8-10-28)51-42(62)35(23-30-13-17-32(60)18-14-30)52-45(65)38(25-70)54-47(67)40(27(3)58)56-44(64)37(24-57)53-41(61)33(49)21-29-11-15-31(59)16-12-29/h6-18,26-27,33-40,57-60,70H,5,19-25,49H2,1-4H3,(H,50,66)(H,51,62)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,64)(H,68,69)/t26-,27+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to antagonise accessory gene regulator C2 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)	BDBM50151880 (CHEMBL426697 | YSTCYFIM) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(O)=O Show InChI InChI=1S/C48H66N8O13S2/c1-5-26(2)39(46(66)50-34(48(68)69)19-20-71-4)55-43(63)36(22-28-9-7-6-8-10-28)51-42(62)35(23-30-13-17-32(60)18-14-30)52-45(65)38(25-70)54-47(67)40(27(3)58)56-44(64)37(24-57)53-41(61)33(49)21-29-11-15-31(59)16-12-29/h6-18,26-27,33-40,57-60,70H,5,19-25,49H2,1-4H3,(H,50,66)(H,51,62)(H,52,65)(H,53,61)(H,54,67)(H,55,63)(H,56,64)(H,68,69)/t26-,27+,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Concentration required to antagonise accessory gene regulator C3 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