Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50054165'   

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)	BDBM50054165 (2-{3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[3-(2-pyr...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ncccn2)C(=O)N(Cc2cccc(c2)C(=O)Nc2ncccn2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C43H40N8O5/c52-37-35(25-29-11-3-1-4-12-29)50(27-31-15-7-17-33(23-31)39(54)48-41-44-19-9-20-45-41)43(56)51(36(38(37)53)26-30-13-5-2-6-14-30)28-32-16-8-18-34(24-32)40(55)49-42-46-21-10-22-47-42/h1-24,35-38,52-53H,25-28H2,(H,44,45,48,54)(H,46,47,49,55)/t35-,36-,37+,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity for HIV-1 protease				J Med Chem 39: 4299-312 (1996) Article DOI: 10.1021/jm9602773 BindingDB Entry DOI: 10.7270/Q2T152QJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50054165 (2-{3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[3-(2-pyr...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ncccn2)C(=O)N(Cc2cccc(c2)C(=O)Nc2ncccn2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C43H40N8O5/c52-37-35(25-29-11-3-1-4-12-29)50(27-31-15-7-17-33(23-31)39(54)48-41-44-19-9-20-45-41)43(56)51(36(38(37)53)26-30-13-5-2-6-14-30)28-32-16-8-18-34(24-32)40(55)49-42-46-21-10-22-47-42/h1-24,35-38,52-53H,25-28H2,(H,44,45,48,54)(H,46,47,49,55)/t35-,36-,37+,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lindsley F. Kimball Research Institute of The New York Blood Center Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease				J Med Chem 42: 249-59 (1999) Article DOI: 10.1021/jm980369n BindingDB Entry DOI: 10.7270/Q2JM28TM
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50054165 (2-{3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[3-(2-pyr...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ncccn2)C(=O)N(Cc2cccc(c2)C(=O)Nc2ncccn2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C43H40N8O5/c52-37-35(25-29-11-3-1-4-12-29)50(27-31-15-7-17-33(23-31)39(54)48-41-44-19-9-20-45-41)43(56)51(36(38(37)53)26-30-13-5-2-6-14-30)28-32-16-8-18-34(24-32)40(55)49-42-46-21-10-22-47-42/h1-24,35-38,52-53H,25-28H2,(H,44,45,48,54)(H,46,47,49,55)/t35-,36-,37+,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 39: 4299-312 (1996) Article DOI: 10.1021/jm9602773 BindingDB Entry DOI: 10.7270/Q2T152QJ
					More data for this Ligand-Target Pair