Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM22658'   

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...)	BDBM22658 (5-hydroxy-N-[(3-methoxyphenyl)methyl]-1-methyl-2-(...) Show SMILES COc1cccc(CNC(=O)c2nc(C3COCCN3C)n(C)c(=O)c2O)c1 Show InChI InChI=1S/C19H24N4O5/c1-22-7-8-28-11-14(22)17-21-15(16(24)19(26)23(17)2)18(25)20-10-12-5-4-6-13(9-12)27-3/h4-6,9,14,24H,7-8,10-11H2,1-3H3,(H,20,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL					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 50: 4953-75 (2007) Article DOI: 10.1021/jm0704705 BindingDB Entry DOI: 10.7270/Q2BZ64BS
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