Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50054625'   

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)	BDBM50054625 (6-Benzyl-4-hydroxy-6-phenyl-3-(1-phenyl-propyl)-5,...) Show SMILES CCC(C1C(=O)CC(Cc2ccccc2)(OC1=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H26O3/c1-2-23(21-14-8-4-9-15-21)25-24(28)19-27(30-26(25)29,22-16-10-5-11-17-22)18-20-12-6-3-7-13-20/h3-17,23,25H,2,18-19H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description HIV Protease inhibitory activity				J Med Chem 39: 4630-42 (1996) Article DOI: 10.1021/jm960228q BindingDB Entry DOI: 10.7270/Q247490H
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