Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50101490'   

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)	BDBM50101490 (6-(2-Benzothiazol-2-yl-ethyl)-3-(2-tert-butyl-4-hy...) Show SMILES CC(C)C1(CCc2nc3ccccc3s2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C29H35NO4S2/c1-17(2)29(12-11-25-30-21-9-7-8-10-23(21)35-25)15-22(32)26(27(33)34-29)36-24-13-18(3)19(16-31)14-20(24)28(4,5)6/h7-10,13-14,17,26,31H,11-12,15-16H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
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