Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM222416'   

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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM222416 (5-(4-methylbenzoyl)-4-methyl-1,3,4,5-tetrahydro-2H...) Show SMILES CC1CC(=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C18H18N2O2/c1-12-7-9-14(10-8-12)18(22)20-13(2)11-17(21)19-15-5-3-4-6-16(15)20/h3-10,13H,11H2,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science					Assay Description The reaction mixture was set with template primer complex, RT enzyme and dNTPs in a lysis buffer with or without inhibitors. The reaction mixture was...				Bioorg Chem 72: 74-79 (2017) Article DOI: 10.1016/j.bioorg.2017.03.013 BindingDB Entry DOI: 10.7270/Q28K77XM
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