Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM50176863'   

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...)	BDBM50176863 (CHEMBL3809926) Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(OCc3ccccc3)cc2)C1=O)c1ccccc1 |c:11| Show InChI InChI=1S/C30H22N2O4/c33-29-27(18-21-14-16-26(17-15-21)36-20-22-8-3-1-4-9-22)28(23-10-5-2-6-11-23)31-32(29)25-13-7-12-24(19-25)30(34)35/h1-19H,20H2,(H,34,35)/b27-18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+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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