Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM476979'   

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...)	BDBM476979 (peptidomimetic coronavirus 3CLpro inhibitors 17) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)N(C)C Show InChI InChI=1S/C29H43N5O7/c1-17(2)14-22(26(37)31-21(24(35)28(39)34(5)6)15-20-12-13-30-25(20)36)32-27(38)23(18(3)4)33-29(40)41-16-19-10-8-7-9-11-19/h7-11,17-18,20-23H,12-16H2,1-6H3,(H,30,36)(H,31,37)(H,32,38)(H,33,40)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR					Assay Description The assays are from references cited in this article.				Bioorg Med Chem Lett 48: 128263 (2021) Article DOI: 10.1016/j.bmcl.2021.128263 BindingDB Entry DOI: 10.7270/Q27084H6
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM476979 (peptidomimetic coronavirus 3CLpro inhibitors 17) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)N(C)C Show InChI InChI=1S/C29H43N5O7/c1-17(2)14-22(26(37)31-21(24(35)28(39)34(5)6)15-20-12-13-30-25(20)36)32-27(38)23(18(3)4)33-29(40)41-16-19-10-8-7-9-11-19/h7-11,17-18,20-23H,12-16H2,1-6H3,(H,30,36)(H,31,37)(H,32,38)(H,33,40)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
A*STAR					Assay Description SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl...				Bioorg Med Chem Lett 48: 128263 (2021) Article DOI: 10.1016/j.bmcl.2021.128263 BindingDB Entry DOI: 10.7270/Q27084H6
					More data for this Ligand-Target Pair