Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptide deformylase' and Ligand = 'BDBM50535513'   

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
Peptide deformylase (Staphylococcus aureus)	BDBM50535513 (CHEMBL4572153) Show SMILES CN(C)c1cc(NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)ncn1 |r| Show InChI InChI=1S/C21H33N7O4/c1-26(2)19-11-18(22-13-23-19)25-20(30)17-8-5-9-24-28(17)21(31)16(12-27(32)14-29)10-15-6-3-4-7-15/h11,13-17,24,32H,3-10,12H2,1-2H3,(H,22,23,25,30)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF by fluorescence detection assay				Bioorg Med Chem Lett 29: 2410-2414 (2019) Article DOI: 10.1016/j.bmcl.2019.05.028 BindingDB Entry DOI: 10.7270/Q2FF3WV7
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