Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50455441'   

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)	BDBM50455441 (CHEMBL2367851) Show SMILES [H][C@@](CO)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)C[C@]([H])(O)[C@]([H])(Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C33H42N2O5/c1-33(2,3)40-32(39)35-29(21-26-17-11-6-12-18-26)30(37)22-27(19-24-13-7-4-8-14-24)31(38)34-28(23-36)20-25-15-9-5-10-16-25/h4-18,27-30,36-37H,19-23H2,1-3H3,(H,34,38)(H,35,39)/t27-,28+,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease.				J Med Chem 43: 3020-32 (2000) BindingDB Entry DOI: 10.7270/Q2HM59P2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50455441 (CHEMBL2367851) Show SMILES [H][C@@](CO)(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)C[C@]([H])(O)[C@]([H])(Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C33H42N2O5/c1-33(2,3)40-32(39)35-29(21-26-17-11-6-12-18-26)30(37)22-27(19-24-13-7-4-8-14-24)31(38)34-28(23-36)20-25-15-9-5-10-16-25/h4-18,27-30,36-37H,19-23H2,1-3H3,(H,34,38)(H,35,39)/t27-,28+,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	692	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcal£ Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease.				J Med Chem 41: 836-52 (1998) Article DOI: 10.1021/jm970535b BindingDB Entry DOI: 10.7270/Q21R6RTN
					More data for this Ligand-Target Pair