Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50522788'   

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 (Dengue virus 2)	BDBM50522788 (CHEMBL4519543) Show SMILES C[C@@](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)(C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C28H40N8O4/c1-28(26(30)40,20-13-6-3-7-14-20)36-25(39)22(15-8-9-17-29)35-24(38)21(16-10-18-33-27(31)32)34-23(37)19-11-4-2-5-12-19/h2-7,11-14,21-22H,8-10,15-18,29H2,1H3,(H2,30,40)(H,34,37)(H,35,38)(H,36,39)(H4,31,32,33)/t21-,22-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heidelberg University Curated by ChEMBL					Assay Description Inhibition of Dengue virus serotype 2 NS2B-NS3 protease preincubated with protein for 15 mins followed by Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr substrat...				Bioorg Med Chem Lett 29: 1913-1917 (2019) Article DOI: 10.1016/j.bmcl.2019.05.054 BindingDB Entry DOI: 10.7270/Q2T15723
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