Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab [1541-1855]' and Ligand = 'BDBM31520'   

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 [1541-1855] (Human SARS coronavirus (SARS-CoV))	BDBM31520 (Naphthalene and Benzamide Derivative, 5h) Show SMILES C[C@@H](NC(=O)c1ccccc1C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C20H19NO/c1-14-8-3-5-11-17(14)20(22)21-15(2)18-13-7-10-16-9-4-6-12-19(16)18/h3-13,15H,1-2H3,(H,21,22)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
					More data for this Ligand-Target Pair				3D Structure (docked)