Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50485818'   

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
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50485818 (CHEMBL2165219) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2nc[nH]c2c1 |r| Show InChI InChI=1S/C34H38FN7O7/c1-19(2)31(41-33(46)28-14-20(3)49-42-28)34(47)40-27(15-21-4-7-23(35)8-5-21)32(45)39-24(9-12-29(36)43)10-13-30(44)48-17-22-6-11-25-26(16-22)38-18-37-25/h4-8,10-11,13-14,16,18-19,24,27,31H,9,12,15,17H2,1-3H3,(H2,36,43)(H,37,38)(H,39,45)(H,40,47)(H,41,46)/b13-10+/t24-,27+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
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