Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50285914'   

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 [489-587] (Human immunodeficiency virus type 1)	BDBM50285914 (CHEMBL93389 | [(1S,3S,4S)-1-Benzyl-4-(3,5-diamino-...) Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N)cc(N)c1)Cc1ccccc1 Show InChI InChI=1S/C30H38N4O4/c1-30(2,3)38-29(37)33-25(14-20-10-6-4-7-11-20)19-27(35)26(15-21-12-8-5-9-13-21)34-28(36)22-16-23(31)18-24(32)17-22/h4-13,16-18,25-27,35H,14-15,19,31-32H2,1-3H3,(H,33,37)(H,34,36)/t25-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
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