Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nonstructural protein 3' and Ligand = 'BDBM50538477'   

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)	BDBM50538477 (CHEMBL4633138) Show SMILES Cc1ccc(cc1OCCN)C(=O)NCC(O)CN1CCCC1 Show InChI InChI=1S/C17H27N3O3/c1-13-4-5-14(10-16(13)23-9-6-18)17(22)19-11-15(21)12-20-7-2-3-8-20/h4-5,10,15,21H,2-3,6-9,11-12,18H2,1H3,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Inhibition of Zika virus NS2B-NS3 protease using Bz-Nle-Lys-Lys-Arg-AMC as substrate preincubated for 10 mins followed by substrate addition and meas...				ACS Med Chem Lett 11: 514-520 (2020) Article DOI: 10.1021/acsmedchemlett.9b00629 BindingDB Entry DOI: 10.7270/Q2TT4VGG
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