Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM533521'   

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)	BDBM533521 (jm2c00120, Compound 20) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2cccc(c2)C#N)[C@@H](O)[C@H]1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00120 BindingDB Entry DOI: 10.7270/Q21839PH
					More data for this Ligand-Target Pair