Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM429375'   

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...)	BDBM429375 (med.21724, Compound 46) Show SMILES C[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C=O Show InChI InChI=1S/C22H34N6O6/c1-13(25-21(33)18(11-30)26-14(2)31)20(32)28-19(15-6-4-3-5-7-15)22(34)27-17(10-29)8-16-9-23-12-24-16/h9-10,12-13,15,17-19,30H,3-8,11H2,1-2H3,(H,23,24)(H,25,33)(H,26,31)(H,27,34)(H,28,32)/t13-,17-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	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
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