Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1037.1 BDBM50499939

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Accessory gene regulator protein A (Staphylococcus aureus)	BDBM50499939 (CHEMBL3740058) Show SMILES [H][C@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)\C(=C/c2ccc(O)cc2)N(C)C(=O)[C@@H](NC(=O)\C=C\c2ccccc2\C=C/CCC)[C@@H](C)OC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC1=O)[C@H](C)O |r| Show InChI InChI=1S/C54H68N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9-25,28,31-33,39-42,46-47,63-65H,7-8,26-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70)/b17-10-,25-22+,43-28+/t32-,33+,39-,40+,41-,42-,46-,47-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Prefectural University Curated by ChEMBL					Assay Description Inhibition of agr-mediated quorum sensing in Staphylococcus aureus after 5 hrs by luminescence analysis				J Nat Prod 78: 2827-31 (2015) Article DOI: 10.1021/acs.jnatprod.5b00540 BindingDB Entry DOI: 10.7270/Q20868BF
					More data for this Ligand-Target Pair