Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50176801'   

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...)	BDBM50176801 (CHEMBL3810366) Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1C(O)=O)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C23H15ClN2O6/c1-12-18(21(27)26(25-12)15-4-2-3-13(9-15)22(28)29)11-16-6-8-20(32-16)19-10-14(24)5-7-17(19)23(30)31/h2-11H,1H3,(H,28,29)(H,30,31)/b18-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
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