Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3C-like protease' and Ligand = 'BDBM47871'   

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
3C-like protease (Avian infectious bronchitis virus)	BDBM47871 (4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]car...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12 Show InChI InChI=1S/C21H18F3N3O2/c22-21(23,24)14-4-3-5-15(12-14)26-8-10-27(11-9-26)20(29)17-13-19(28)25-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,25,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29K48NM
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