Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM423459'   

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 (SARS coronavirus Urbani)	BDBM423459 (WO2006061714, Example 1 | WO2006061714-ID-01) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O Show InChI InChI=1S/C18H33N3O5/c1-11(2)8-14(21-17(25)26-18(3,4)5)16(24)20-13(10-22)9-12-6-7-19-15(12)23/h11-14,22H,6-10H2,1-5H3,(H,19,23)(H,20,24)(H,21,25)/t12-,13-,14-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2006061714	n/a	n/a	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a
Pfizer Inc.					Assay Description Proteolytic activity of Coronavirus 3C protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS 3CI_pro FRET as...				WIPO (2006) BindingDB Entry DOI: 10.7270/Q22V2K5W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423459 (WO2006061714, Example 1 | WO2006061714-ID-01) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O Show InChI InChI=1S/C18H33N3O5/c1-11(2)8-14(21-17(25)26-18(3,4)5)16(24)20-13(10-22)9-12-6-7-19-15(12)23/h11-14,22H,6-10H2,1-5H3,(H,19,23)(H,20,24)(H,21,25)/t12-,13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2005113580	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Pfizer Inc.					Assay Description Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...				WIPO (2005) BindingDB Entry DOI: 10.7270/Q2PV6NRF
					More data for this Ligand-Target Pair