Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Penicillin-binding protein 4' and Ligand = 'BDBM50370584'   

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
Penicillin-binding protein 4 (Bacillus subtilis (strain 168))	BDBM50370584 (Beepen-VK | Betapen-VK | PENICILLIN V | Penapar-VK...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Inhibition of Bacillus subtilis 168 PBP4 after 30 mins by SDS-PAGE				ACS Med Chem Lett 5: 154-7 (2014) Article DOI: 10.1021/ml400408c BindingDB Entry DOI: 10.7270/Q2NP27DF
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