Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM11246'   

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 (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11246 (AG7088 analogue 1d | ethyl (2E,4S)-4-[(2R,5S)-2-be...) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C34H43N3O7/c1-4-43-30(39)16-15-28(20-26-17-18-35-32(26)40)36-33(41)27(19-24-11-7-5-8-12-24)21-29(38)31(23(2)3)37-34(42)44-22-25-13-9-6-10-14-25/h5-16,23,26-28,31H,4,17-22H2,1-3H3,(H,35,40)(H,36,41)(H,37,42)/b16-15+/t26-,27+,28+,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM11246 (AG7088 analogue 1d | ethyl (2E,4S)-4-[(2R,5S)-2-be...) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C34H43N3O7/c1-4-43-30(39)16-15-28(20-26-17-18-35-32(26)40)36-33(41)27(19-24-11-7-5-8-12-24)21-29(38)31(23(2)3)37-34(42)44-22-25-13-9-6-10-14-25/h5-16,23,26-28,31H,4,17-22H2,1-3H3,(H,35,40)(H,36,41)(H,37,42)/b16-15+/t26-,27+,28+,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11246 (AG7088 analogue 1d | ethyl (2E,4S)-4-[(2R,5S)-2-be...) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C34H43N3O7/c1-4-43-30(39)16-15-28(20-26-17-18-35-32(26)40)36-33(41)27(19-24-11-7-5-8-12-24)21-29(38)31(23(2)3)37-34(42)44-22-25-13-9-6-10-14-25/h5-16,23,26-28,31H,4,17-22H2,1-3H3,(H,35,40)(H,36,41)(H,37,42)/b16-15+/t26-,27+,28+,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.0	25
National Taiwan University					Assay Description The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...				Bioorg Med Chem 13: 5240-52 (2005) Article DOI: 10.1016/j.bmc.2005.05.065 BindingDB Entry DOI: 10.7270/Q2VT1Q9R
					More data for this Ligand-Target Pair