Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50053913'   

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)	BDBM50053913 (3-(2,2-Dimethyl-1-phenyl-propyl)-4-hydroxy-4a,5,6,...) Show SMILES CC(C)(C)C(C1C(=O)OC2CCCCCCC2C1=O)c1ccccc1 Show InChI InChI=1S/C22H30O3/c1-22(2,3)19(15-11-7-6-8-12-15)18-20(23)16-13-9-4-5-10-14-17(16)25-21(18)24/h6-8,11-12,16-19H,4-5,9-10,13-14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity of the compound towards HIV protease was determined				J Med Chem 39: 4125-30 (1996) Article DOI: 10.1021/jm960296c BindingDB Entry DOI: 10.7270/Q2KH0MFB
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