Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50291062'   

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)	BDBM50291062 (3-{Cyclopropyl-[3-(toluene-4-sulfonylmethyl)-pheny...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C29H32O5S/c1-19-11-15-23(16-12-19)35(32,33)18-20-7-6-8-22(17-20)26(21-13-14-21)27-28(30)24-9-4-2-3-5-10-25(24)34-29(27)31/h6-8,11-12,15-17,21,26,30H,2-5,9-10,13-14,18H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease.				Bioorg Med Chem Lett 7: 399-402 (1997) Article DOI: 10.1016/S0960-894X(97)00031-0 BindingDB Entry DOI: 10.7270/Q21R6QH6
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