Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM495339'   

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)	BDBM495339 (CVD-0017398 | MAT-POS-24589f88-3) Show SMILES CS(=O)(=O)N1C[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1 Show InChI InChI=1S/C20H18ClN3O3S/c1-28(26,27)24-11-14-6-7-15(21)8-17(14)18(12-24)20(25)23-19-10-22-9-13-4-2-3-5-16(13)19/h2-10,18H,11-12H2,1H3,(H,23,25)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM495339 (CVD-0017398 | MAT-POS-24589f88-3) Show SMILES CS(=O)(=O)N1C[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1 Show InChI InChI=1S/C20H18ClN3O3S/c1-28(26,27)24-11-14-6-7-15(21)8-17(14)18(12-24)20(25)23-19-10-22-9-13-4-2-3-5-16(13)19/h2-10,18H,11-12H2,1H3,(H,23,25)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Israel Institution of Biological Research					Assay Description Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for...				bioRxiv 2021: (2021) BindingDB Entry DOI: 10.7270/Q2MS3WV7
					More data for this Ligand-Target Pair