Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sensory histidine kinase DcuS' and Ligand = 'BDBM50526859'   

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
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50526859 (CHEMBL4518791) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](COC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C |r| Show InChI InChI=1S/C38H58N10O13/c1-18(2)11-22-33(55)44-24(12-21-9-7-6-8-10-21)38(60)61-17-27(36(58)46-26(16-50)35(57)45-25(15-49)34(56)42-22)47-31(53)20(5)41-32(54)23(13-28(40)51)43-37(59)30(19(3)4)48-29(52)14-39/h6-10,18-20,22-27,30,49-50H,11-17,39H2,1-5H3,(H2,40,51)(H,41,54)(H,42,56)(H,43,59)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,52)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Eastern Colorado Health Care System Curated by ChEMBL					Assay Description Inhibition of AgrC in mid-exponential phase Staphylococcus aureus RN6390B assessed as beta-lactamase activity incubated for 80 mins by spectrophotome...				J Med Chem 63: 2705-2730 (2020) Article DOI: 10.1021/acs.jmedchem.9b00798 BindingDB Entry DOI: 10.7270/Q2CF9TJ1
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