Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM25332'   

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...)	BDBM25332 (N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(2-methanes...) Show SMILES Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NS(C)(=O)=O Show InChI InChI=1S/C17H21FN4O5S/c1-17(2,21-28(4,26)27)16-20-12(13(23)15(25)22(16)3)14(24)19-9-10-5-7-11(18)8-6-10/h5-8,21,23H,9H2,1-4H3,(H,19,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.8	37
Merck Research Laboratories					Assay Description The microtiter plate assay for stand transfer was performed with an immobilized donor substrate and a target substrate biotinylated at the 3-prime en...				J Med Chem 51: 5843-55 (2008) Article DOI: 10.1021/jm800245z BindingDB Entry DOI: 10.7270/Q2QJ7FMR
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