Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM495468'   

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)	BDBM495468 (CVD-0016870 | MAT-POS-96f51285-1) Show SMILES COc1ccc2cncc(NC(=O)C3(CCOc4ccc(Cl)cc34)OC)c2c1 Show InChI InChI=1S/C21H19ClN2O4/c1-26-15-5-3-13-11-23-12-18(16(13)10-15)24-20(25)21(27-2)7-8-28-19-6-4-14(22)9-17(19)21/h3-6,9-12H,7-8H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	118	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)	BDBM495468 (CVD-0016870 | MAT-POS-96f51285-1) Show SMILES COc1ccc2cncc(NC(=O)C3(CCOc4ccc(Cl)cc34)OC)c2c1 Show InChI InChI=1S/C21H19ClN2O4/c1-26-15-5-3-13-11-23-12-18(16(13)10-15)24-20(25)21(27-2)7-8-28-19-6-4-14(22)9-17(19)21/h3-6,9-12H,7-8H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	118	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