Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50176804'   

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...)	BDBM50176804 (CHEMBL3808795) Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(o2)-c2cc(Cl)ccc2C(O)=O)C1=O)c1ccccc1 |c:11| Show InChI InChI=1S/C28H17ClN2O6/c29-18-9-11-21(28(35)36)22(14-18)24-12-10-20(37-24)15-23-25(16-5-2-1-3-6-16)30-31(26(23)32)19-8-4-7-17(13-19)27(33)34/h1-15H,(H,33,34)(H,35,36)/b23-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.47E+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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