Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50483058'   

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...)	BDBM50483058 (CHEMBL1278125) Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(Cl)cc2)cc1 |c:12| Show InChI InChI=1S/C23H15ClN2O3/c24-18-10-12-19(13-11-18)26-22(27)20(21(25-26)16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)23(28)29/h1-14H,(H,28,29)/b20-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease by fluorescence plate reader analysis				Bioorg Med Chem 18: 7849-54 (2010) Article DOI: 10.1016/j.bmc.2010.09.050 BindingDB Entry DOI: 10.7270/Q2GQ71KW
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