Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50289068'   

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)	BDBM50289068 (CHEMBL159290 | N-Benzyl-4-[4-hydroxy-5-(2-isopropy...) Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCC(=O)N(C)Cc2ccccc2)(OC1=O)c1ccccc1 Show InChI InChI=1S/C32H35NO4S/c1-23(2)26-17-10-11-18-28(26)38-30-27(34)21-32(37-31(30)36,25-15-8-5-9-16-25)20-12-19-29(35)33(3)22-24-13-6-4-7-14-24/h4-11,13-18,23,30H,12,19-22H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	676	n/a	n/a	n/a	n/a	4.7	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM				Bioorg Med Chem Lett 6: 719-724 (1996) Article DOI: 10.1016/0960-894X(96)00099-6 BindingDB Entry DOI: 10.7270/Q2930T5M
					More data for this Ligand-Target Pair