Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50035637'   

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)	BDBM50035637 (CHEMBL108471 | [(1S,2S,4R)-1-Benzyl-2-hydroxy-4-((...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1O Show InChI InChI=1S/C30H42N2O5/c1-30(2,3)37-29(36)32-25(19-22-14-8-5-9-15-22)27(34)20-23(18-21-12-6-4-7-13-21)28(35)31-24-16-10-11-17-26(24)33/h4-9,12-15,23-27,33-34H,10-11,16-20H2,1-3H3,(H,31,35)(H,32,36)/t23-,24+,25+,26-,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of HIV-1 protease				J Med Chem 38: 305-17 (1995) Checked by Author BindingDB Entry DOI: 10.7270/Q23T9G8M
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50035637 (CHEMBL108471 | [(1S,2S,4R)-1-Benzyl-2-hydroxy-4-((...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1O Show InChI InChI=1S/C30H42N2O5/c1-30(2,3)37-29(36)32-25(19-22-14-8-5-9-15-22)27(34)20-23(18-21-12-6-4-7-13-21)28(35)31-24-16-10-11-17-26(24)33/h4-9,12-15,23-27,33-34H,10-11,16-20H2,1-3H3,(H,31,35)(H,32,36)/t23-,24+,25+,26-,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	123	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