Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50030460'   

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 (West Nile virus)	BDBM50030460 (CHEMBL3344318) Show SMILES Cc1ccc2NC(c3ccc(Cl)cc3)[n+]3[nH]c(SCc4ccccc4)nc(=O)c3-c2c1 Show InChI InChI=1S/C24H19ClN4OS/c1-15-7-12-20-19(13-15)21-23(30)27-24(31-14-16-5-3-2-4-6-16)28-29(21)22(26-20)17-8-10-18(25)11-9-17/h2-13,22H,14H2,1H3,(H,27,28,30)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Non-competitive inhibition of West Nile virus NS2B-NS3 protease				Eur J Med Chem 87: 677-702 (2014) Article DOI: 10.1016/j.ejmech.2014.10.010 BindingDB Entry DOI: 10.7270/Q2WW7K9C
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