Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nonstructural protein 3' and Ligand = 'BDBM50509464'   

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
Nonstructural protein 3 (Zika virus)	BDBM50509464 (CHEMBL4453301) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc(O)c(O)cc2s1 |r| Show InChI InChI=1S/C20H21N3O5S2/c1-12-5-7-13(8-6-12)30(27,28)23-9-3-2-4-15(23)19(26)22-20-21-14-10-16(24)17(25)11-18(14)29-20/h5-8,10-11,15,24-25H,2-4,9H2,1H3,(H,21,22,26)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg University Mainz Curated by ChEMBL					Assay Description Inhibition of N-terminal hexa-histidine tagged Zika virus NS2B/NS3 protease expressed in Escherichia coli BL21-Gold (DE3) using fluorogenic AMC-subst...				J Med Chem 62: 11359-11382 (2019) Article DOI: 10.1021/acs.jmedchem.9b01697 BindingDB Entry DOI: 10.7270/Q2F47SDK
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