Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50197349'   

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)	BDBM50197349 (CHEMBL3983492 | ebselen derivative 1e) Show SMILES COc1ccccc1-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C14H11NO2Se/c1-17-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)18-15/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	256	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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50197349 (CHEMBL3983492 | ebselen derivative 1e) Show SMILES COc1ccccc1-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C14H11NO2Se/c1-17-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)18-15/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00954 BindingDB Entry DOI: 10.7270/Q2R49VTB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50197349 (CHEMBL3983492 | ebselen derivative 1e) Show SMILES COc1ccccc1-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C14H11NO2Se/c1-17-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)18-15/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL									Bioorg Med Chem Lett 15: 5211-7 (2005) Article DOI: 10.1021/acs.jmedchem.2c00303 BindingDB Entry DOI: 10.7270/Q2H70KWC
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50197349 (CHEMBL3983492 | ebselen derivative 1e) Show SMILES COc1ccccc1-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C14H11NO2Se/c1-17-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)18-15/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01140 BindingDB Entry DOI: 10.7270/Q2445RJD
					More data for this Ligand-Target Pair