Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50291060'   

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)	BDBM50291060 (3-{Cyclopropyl-[3-(4-fluoro-benzenesulfonylmethyl)...) Show SMILES Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(CS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C28H29FO5S/c29-21-12-14-22(15-13-21)35(32,33)17-18-6-5-7-20(16-18)25(19-10-11-19)26-27(30)23-8-3-1-2-4-9-24(23)34-28(26)31/h5-7,12-16,19,25,30H,1-4,8-11,17H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.10	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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