Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM22627'   

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...)	BDBM22627 (2-[(2S,4R)-4-(benzyloxy)-1-methylpiperidin-2-yl]-N...) Show SMILES CN1CC[C@H](C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)OCc1ccccc1 |r| Show InChI InChI=1S/C26H29FN4O4/c1-30-13-12-20(35-16-18-6-4-3-5-7-18)14-21(30)24-29-22(23(32)26(34)31(24)2)25(33)28-15-17-8-10-19(27)11-9-17/h3-11,20-21,32H,12-16H2,1-2H3,(H,28,33)/t20-,21+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	7.8	37
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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