Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50483063'   

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...)	BDBM50483063 (CHEMBL1277136) Show SMILES OC(=O)c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 |c:12| Show InChI InChI=1S/C23H14Cl2N2O3/c24-19-11-10-17(13-20(19)25)27-22(28)18(21(26-27)15-4-2-1-3-5-15)12-14-6-8-16(9-7-14)23(29)30/h1-13H,(H,29,30)/b18-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.43E+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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