Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM496941'   

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...)	BDBM496941 (cmdc.202100576, 18d) Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C=O Show InChI InChI=1S/C30H35N5O5/c1-18(2)26(35-29(39)25-16-20-10-6-7-11-23(20)33-25)30(40)34-24(14-19-8-4-3-5-9-19)28(38)32-22(17-36)15-21-12-13-31-27(21)37/h3-11,16-18,21-22,24,26,33H,12-15H2,1-2H3,(H,31,37)(H,32,38)(H,34,40)(H,35,39)/t21?,22-,24-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496941 (cmdc.202100576, 18d) Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C=O Show InChI InChI=1S/C30H35N5O5/c1-18(2)26(35-29(39)25-16-20-10-6-7-11-23(20)33-25)30(40)34-24(14-19-8-4-3-5-9-19)28(38)32-22(17-36)15-21-12-13-31-27(21)37/h3-11,16-18,21-22,24,26,33H,12-15H2,1-2H3,(H,31,37)(H,32,38)(H,34,40)(H,35,39)/t21?,22-,24-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair