Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50114970'   

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)	BDBM50114970 ((6R,7R,8aR)-8-Benzyloxy-6-methoxy-2-phenyl-hexahyd...) Show SMILES CO[C@@H]1OC2COC(O[C@H]2C(OCc2ccccc2)[C@H]1O)c1ccccc1 Show InChI InChI=1S/C21H24O6/c1-23-21-17(22)19(24-12-14-8-4-2-5-9-14)18-16(26-21)13-25-20(27-18)15-10-6-3-7-11-15/h2-11,16-22H,12-13H2,1H3/t16?,17-,18-,19?,20?,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
University College Dublin Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 12: 1763-6 (2002) BindingDB Entry DOI: 10.7270/Q22R3S65
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