Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM61402'   

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
Replicase polyprotein 1ab (2019-nCoV)	BDBM61402 ((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...) Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1 Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur Korea					Assay Description Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ...				Antimicrob Agents Chemother 64: (2020) Article DOI: 10.1128/AAC.00819-20 BindingDB Entry DOI: 10.7270/Q22N54QR
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