Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM581884'   

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)	BDBM581884 (WO2022224223, Example 16 | WO2022224223, Example 1...) Show SMILES FC(F)(F)c1ccc2n(CCC#N)c(=O)n(-c3cncc4ccccc34)c(=O)c2c1 |(-7.63,-.02,;-6.29,-.79,;-6.29,-2.33,;-4.96,-1.56,;-4.96,-.02,;-4.96,1.52,;-3.62,2.29,;-2.29,1.52,;-.96,2.29,;-.96,3.83,;-2.29,4.6,;-2.29,6.14,;-2.29,7.68,;.38,1.52,;1.71,2.29,;.38,-.02,;1.71,-.79,;1.71,-2.33,;3.04,-3.1,;4.38,-2.33,;4.38,-.79,;5.71,-.02,;5.71,1.52,;4.38,2.29,;3.04,1.52,;3.04,-.02,;-.96,-.79,;-.96,-2.33,;-2.29,-.02,;-3.62,-.79,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022224223	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assay buffer preparation: 50 mM HEPES pH 7.3, 150 mM NaCl, 1 mM EDTA, 0.01% pluronic f-127(Catalog # 59005, Biotium) was prepared using UltraPure Di...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MC93W9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM581884 (WO2022224223, Example 16 | WO2022224223, Example 1...) Show SMILES FC(F)(F)c1ccc2n(CCC#N)c(=O)n(-c3cncc4ccccc34)c(=O)c2c1 |(-7.63,-.02,;-6.29,-.79,;-6.29,-2.33,;-4.96,-1.56,;-4.96,-.02,;-4.96,1.52,;-3.62,2.29,;-2.29,1.52,;-.96,2.29,;-.96,3.83,;-2.29,4.6,;-2.29,6.14,;-2.29,7.68,;.38,1.52,;1.71,2.29,;.38,-.02,;1.71,-.79,;1.71,-2.33,;3.04,-3.1,;4.38,-2.33,;4.38,-.79,;5.71,-.02,;5.71,1.52,;4.38,2.29,;3.04,1.52,;3.04,-.02,;-.96,-.79,;-.96,-2.33,;-2.29,-.02,;-3.62,-.79,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022224223	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assay buffer preparation: 50 mM HEPES pH 7.3, 150 mM NaCl, 1 mM EDTA, 0.01% pluronic f-127(Catalog # 59005, Biotium) was prepared using UltraPure Di...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MC93W9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM581884 (WO2022224223, Example 16 | WO2022224223, Example 1...) Show SMILES FC(F)(F)c1ccc2n(CCC#N)c(=O)n(-c3cncc4ccccc34)c(=O)c2c1 |(-7.63,-.02,;-6.29,-.79,;-6.29,-2.33,;-4.96,-1.56,;-4.96,-.02,;-4.96,1.52,;-3.62,2.29,;-2.29,1.52,;-.96,2.29,;-.96,3.83,;-2.29,4.6,;-2.29,6.14,;-2.29,7.68,;.38,1.52,;1.71,2.29,;.38,-.02,;1.71,-.79,;1.71,-2.33,;3.04,-3.1,;4.38,-2.33,;4.38,-.79,;5.71,-.02,;5.71,1.52,;4.38,2.29,;3.04,1.52,;3.04,-.02,;-.96,-.79,;-.96,-2.33,;-2.29,-.02,;-3.62,-.79,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022224223	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assay buffer preparation: 50 mM HEPES pH 7.3, 150 mM NaCl, 1 mM EDTA, 0.01% pluronic f-127(Catalog # 59005, Biotium) was prepared using UltraPure Di...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MC93W9
					More data for this Ligand-Target Pair