Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50197297'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Replicase polyprotein 1ab (2019-nCoV)	BDBM50197297 (CHEMBL3928799 | ebselen derivative 2d) Show SMILES Oc1ccccc1NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccc1O Show InChI InChI=1S/C26H20N2O4Se2/c29-21-13-5-3-11-19(21)27-25(31)17-9-1-7-15-23(17)33-34-24-16-8-2-10-18(24)26(32)28-20-12-4-6-14-22(20)30/h1-16,29-30H,(H,27,31)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
University ofAmsterdam					Assay Description The inhibitor was screened against recombinant PL​pro​SARS and PL​pro​CoV2 at 37°Cin the assay buffer as described above. For...				bioRxiv 1-12 (2020) BindingDB Entry DOI: 10.7270/Q2RX9FGT
					More data for this Ligand-Target Pair