Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM128'   

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)	BDBM128 ((4R,5S,6S,7R)-1,3-bis(4-aminobutyl)-4,7-dibenzyl-5...) Show SMILES NCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCN)C1=O Show InChI InChI=1S/C27H40N4O3/c28-15-7-9-17-30-23(19-21-11-3-1-4-12-21)25(32)26(33)24(20-22-13-5-2-6-14-22)31(27(30)34)18-10-8-16-29/h1-6,11-14,23-26,32-33H,7-10,15-20,28-29H2/t23-,24-,25+,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
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