Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50176814'   

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...)	BDBM50176814 (CHEMBL3810361) Show SMILES OC(=O)c1ccccc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)o1 |c:19| Show InChI InChI=1S/C27H18N2O4/c30-26-23(17-20-15-16-24(33-20)21-13-7-8-14-22(21)27(31)32)25(18-9-3-1-4-10-18)28-29(26)19-11-5-2-6-12-19/h1-17H,(H,31,32)/b23-17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.12E+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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